34 results on '"Tapia-Ruiz, N"'
Search Results
2. Oxygen-Redox Activity in Non-Lithium-Excess Tungsten-Doped LiNiO2 Cathode
- Author
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Menon, A.S., Johnston, B.J., Booth, S.G., Zhang, L., Kress, K., Murdock, B.E., Paez Fajardo, G., Anthonisamy, N.N., Tapia-Ruiz, N., Agrestini, S., Garcia-Fernandez, M., Zhou, K., Thakur, P.K., Lee, T.L., Nedoma, A.J., Cussen, S.A., Piper, L.F.J., Menon, A.S., Johnston, B.J., Booth, S.G., Zhang, L., Kress, K., Murdock, B.E., Paez Fajardo, G., Anthonisamy, N.N., Tapia-Ruiz, N., Agrestini, S., Garcia-Fernandez, M., Zhou, K., Thakur, P.K., Lee, T.L., Nedoma, A.J., Cussen, S.A., and Piper, L.F.J.
- Published
- 2023
3. Misreported non-aqueous reference potentials:The battery research endemic
- Author
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Murdock, B.E., Armstrong, C.G., Smith, D.E., Tapia-Ruiz, N., Toghill, K.E., Murdock, B.E., Armstrong, C.G., Smith, D.E., Tapia-Ruiz, N., and Toghill, K.E.
- Abstract
Often the evaluation of energy storage systems which use non-aqueous media requires the use of three-electrode electrochemical cells that employ a stable and reliable reference electrode. The existence of such a reference electrode is a non-trivial matter which has led to extensive misuse and misreporting across the field of battery research. This commentary highlights the current challenges in non-aqueous referencing which are commonly overlooked and offers best practices for acknowledging and accounting for such challenges when reporting data which heavily relies on having accurate reference potentials.
- Published
- 2022
4. Misreported non-aqueous reference potentials : The battery research endemic
- Author
-
Murdock, B.E., Armstrong, C.G., Smith, D.E., Tapia-Ruiz, N., Toghill, K.E., Murdock, B.E., Armstrong, C.G., Smith, D.E., Tapia-Ruiz, N., and Toghill, K.E.
- Abstract
Often the evaluation of energy storage systems which use non-aqueous media requires the use of three-electrode electrochemical cells that employ a stable and reliable reference electrode. The existence of such a reference electrode is a non-trivial matter which has led to extensive misuse and misreporting across the field of battery research. This commentary highlights the current challenges in non-aqueous referencing which are commonly overlooked and offers best practices for acknowledging and accounting for such challenges when reporting data which heavily relies on having accurate reference potentials.
- Published
- 2022
5. Perspectives for next generation lithium-ion battery cathode materials
- Author
-
Booth, S.G., Nedoma, A.J., Anthonisamy, N.N., Baker, P.J., Boston, R., Bronstein, H., Clarke, S.J., Cussen, E.J., Daramalla, V., De Volder, M., Dutton, S.E., Falkowski, V., Fleck, N.A., Geddes, H.S., Gollapally, N., Goodwin, A.L., Griffin, J.M., Haworth, A.R., Hayward, M.A., Hull, S., Inkson, B.J., Johnston, B.J., Lu, Z., MacManus-Driscoll, J.L., Martínez De Irujo Labalde, X., McClelland, I., McCombie, K., Murdock, B., Nayak, D., Park, S., Pérez, G.E., Pickard, C.J., Piper, L.F.J., Playford, H.Y., Price, S., Scanlon, D.O., Stallard, J.C., Tapia-Ruiz, N., West, A.R., Wheatcroft, L., Wilson, M., Zhang, L., Zhi, X., Zhu, B., Cussen, S.A., Booth, S.G., Nedoma, A.J., Anthonisamy, N.N., Baker, P.J., Boston, R., Bronstein, H., Clarke, S.J., Cussen, E.J., Daramalla, V., De Volder, M., Dutton, S.E., Falkowski, V., Fleck, N.A., Geddes, H.S., Gollapally, N., Goodwin, A.L., Griffin, J.M., Haworth, A.R., Hayward, M.A., Hull, S., Inkson, B.J., Johnston, B.J., Lu, Z., MacManus-Driscoll, J.L., Martínez De Irujo Labalde, X., McClelland, I., McCombie, K., Murdock, B., Nayak, D., Park, S., Pérez, G.E., Pickard, C.J., Piper, L.F.J., Playford, H.Y., Price, S., Scanlon, D.O., Stallard, J.C., Tapia-Ruiz, N., West, A.R., Wheatcroft, L., Wilson, M., Zhang, L., Zhi, X., Zhu, B., and Cussen, S.A.
- Abstract
Transitioning to electrified transport requires improvements in sustainability, energy density, power density, lifetime, and approved the cost of lithium-ion batteries, with significant opportunities remaining in the development of next-generation cathodes. This presents a highly complex, multiparameter optimization challenge, where developments in cathode chemical design and discovery, theoretical and experimental understanding, structural and morphological control, synthetic approaches, and cost reduction strategies can deliver performance enhancements required in the near- and longer-term. This multifaceted challenge requires an interdisciplinary approach to solve, which has seen the establishment of numerous academic and industrial consortia around the world to focus on cathode development. One such example is the Next Generation Lithium-ion Cathode Materials project, FutureCat, established by the UK’s Faraday Institution for electrochemical energy storage research in 2019, aimed at developing our understanding of existing and newly discovered cathode chemistries. Here, we present our perspective on persistent fundamental challenges, including protective coatings and additives to extend lifetime and improve interfacial ion transport, the design of existing and the discovery of new cathode materials where cation and cation-plus-anion redox-activity can be exploited to increase energy density, the application of earth-abundant elements that could ultimately reduce costs, and the delivery of new electrode topologies resistant to fracture which can extend battery lifetime
- Published
- 2021
6. 2021 roadmap for sodium-ion batteries
- Author
-
Tapia-Ruiz, N., Armstrong, A.R., Alptekin, H., Amores, M.A., Au, H., Barker, J., Boston, R., Brant, W.R., Brittain, J.M., Chen, Y., Chhowalla, M., Choi, Y.-S., Costa, S.I.R., Ribadeneyra, M.C., Cussen, S.A., Cussen, E.J., David, W.I.F., Desai, A.V., Dickson, S.A.M., Eweka, E.I., Forero-Saboya, J.D., Grey, C.P., Griffin, J.M., Gross, P., Hua, X., Irvine, J.T.S., Johansson, P., Jones, M.O., Karlsmo, M., Kendrick, E., Kim, E., Kolosov, O.V., Li, Z., Mertens, S.F.L., Mogensen, R., Monconduit, L., Morris, R.E., Naylor, A.J., Nikman, S., O'Keefe, C.A., Ould, D.M.C., Palgrave, R.G., Poizot, P., Ponrouch, A., Renault, S., Reynolds, E.M., Rudola, A., Sayers, R., Scanlon, D.O., Sen, S., Seymour, V.R., Silván, B., Sougrati, M.T., Stievano, L., Stone, G.S., Thomas, C.I., Titirici, M.-M., Tong, J., Wood, T.J., Wright, D.S., Younesi, R., Tapia-Ruiz, N., Armstrong, A.R., Alptekin, H., Amores, M.A., Au, H., Barker, J., Boston, R., Brant, W.R., Brittain, J.M., Chen, Y., Chhowalla, M., Choi, Y.-S., Costa, S.I.R., Ribadeneyra, M.C., Cussen, S.A., Cussen, E.J., David, W.I.F., Desai, A.V., Dickson, S.A.M., Eweka, E.I., Forero-Saboya, J.D., Grey, C.P., Griffin, J.M., Gross, P., Hua, X., Irvine, J.T.S., Johansson, P., Jones, M.O., Karlsmo, M., Kendrick, E., Kim, E., Kolosov, O.V., Li, Z., Mertens, S.F.L., Mogensen, R., Monconduit, L., Morris, R.E., Naylor, A.J., Nikman, S., O'Keefe, C.A., Ould, D.M.C., Palgrave, R.G., Poizot, P., Ponrouch, A., Renault, S., Reynolds, E.M., Rudola, A., Sayers, R., Scanlon, D.O., Sen, S., Seymour, V.R., Silván, B., Sougrati, M.T., Stievano, L., Stone, G.S., Thomas, C.I., Titirici, M.-M., Tong, J., Wood, T.J., Wright, D.S., and Younesi, R.
- Abstract
Increasing concerns regarding the sustainability of lithium sources, due to their limited availability and consequent expected price increase, have raised awareness of the importance of developing alternative energy-storage candidates that can sustain the ever-growing energy demand. Furthermore, limitations on the availability of the transition metals used in the manufacturing of cathode materials, together with questionable mining practices, are driving development towards more sustainable elements. Given the uniformly high abundance and cost-effectiveness of sodium, as well as its very suitable redox potential (close to that of lithium), sodium-ion battery technology offers tremendous potential to be a counterpart to lithium-ion batteries (LIBs) in different application scenarios, such as stationary energy storage and low-cost vehicles. This potential is reflected by the major investments that are being made by industry in a wide variety of markets and in diverse material combinations. Despite the associated advantages of being a drop-in replacement for LIBs, there are remarkable differences in the physicochemical properties between sodium and lithium that give rise to different behaviours, for example, different coordination preferences in compounds, desolvation energies, or solubility of the solid-electrolyte interphase inorganic salt components. This demands a more detailed study of the underlying physical and chemical processes occurring in sodium-ion batteries and allows great scope for groundbreaking advances in the field, from lab-scale to scale-up. This roadmap provides an extensive review by experts in academia and industry of the current state of the art in 2021 and the different research directions and strategies currently underway to improve the performance of sodium-ion batteries. The aim is to provide an opinion with respect to the current challenges and opportunities, from the fundamental properties to the practical applications of this technology.
- Published
- 2021
7. P2–Na2/3Mg1/4Mn7/12Co1/6O2 cathode material based on oxygen redox activity with improved first-cycle voltage hysteresis
- Author
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Tapia-Ruiz, N., Soares, C., Somerville, J.W., House, R.A., Billaud, J., Roberts, M.R., Bruce, P.G., Tapia-Ruiz, N., Soares, C., Somerville, J.W., House, R.A., Billaud, J., Roberts, M.R., and Bruce, P.G.
- Abstract
The recent report of P2–Na2/3Mg0.28Mn0.72O2 (P2-NMM) demonstrated the possibility of utilizing the oxygen redox couple in a layered oxide cathode without the need for alkali ions or vacancies in the transition metal layer. In this work, we report the synthesis of a new P2-type compound, Na2/3Mg1/4Mn7/12Co1/6O2 (P2-NMMC), which exhibits reversible specific capacities as high as 173 mAh g−1 and an improvement of the first cycle voltage hysteresis over P2-NMM. The material was characterised using a combination of ex-situ and operando techniques including X-ray diffraction (XRD), differential electrochemical mass spectrometry (DEMS) and X-ray spectroscopy (XAS) to identify potential sources for this improvement.
- Published
- 2021
8. Pillared Mo2TiC2MXene for high-power and long-life lithium and sodium-ion batteries
- Author
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Maughan, P.A., Bouscarrat, L., Seymour, V.R., Shao, S., Haigh, S.J., Dawson, R., Tapia-Ruiz, N., Bimbo, N., Maughan, P.A., Bouscarrat, L., Seymour, V.R., Shao, S., Haigh, S.J., Dawson, R., Tapia-Ruiz, N., and Bimbo, N.
- Abstract
In this work, we apply an amine-assisted silica pillaring method to create the first example of a porous Mo2TiC2MXene with nanoengineered interlayer distances. The pillared Mo2TiC2has a surface area of 202 m2g−1, which is among the highest reported for any MXene, and has a variable gallery height between 0.7 and 3 nm. The expanded interlayer distance leads to significantly enhanced cycling performance for Li-ion storage, with superior capacity, rate capably and cycling stability in comparison to the non-pillared analogue. The pillared Mo2TiC2achieved a capacity over 1.7 times greater than multilayered MXene at 20 mA g−1(≈320 mA h g−1) and 2.5 times higher at 1 A g−1(≈150 mA h g−1). The fast-charging properties of pillared Mo2TiC2are further demonstrated by outstanding stability even at 1 A g−1(under 8 min charge time), retaining 80% of the initial capacity after 500 cycles. Furthermore, we use a combination of spectroscopic techniques (i.e.XPS, NMR and Raman) to show unambiguously that the charge storage mechanism of this MXene occurs by a conversion reaction through the formation of Li2O. This reaction increases by 2-fold the capacity beyond intercalation, and therefore, its understanding is crucial for further development of this family of materials. In addition, we also investigate for the first time the sodium storage properties of the pillared and non-pillared Mo2TiC2
- Published
- 2021
9. Porous silica-pillared MXenes with controllable interlayer distances for long-life Na-ion batteries
- Author
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Maughan, P.A., Seymour, V.R., Bernardo-Gavito, R., Kelly, D.J., Shao, S., Tantisriyanurak, S., Dawson, R., Haigh, S.J., Young, R.J., Tapia-Ruiz, N., and Bimbo, N.
- Abstract
MXenes are a recently discovered class of two-dimensional materials that have shown great potential as electrodes in electrochemical energy storage devices. Despite their promise in this area, MXenes can still suffer limitations in the form of restricted ion accessibility between the closely spaced multistacked MXene layers, causing low capacities and poor cycle life. Pillaring, a strategy where a secondary species is inserted between layers, has been used to increase interlayer spacings in clays with great success, but has had limited application in MXenes. We report a new amine-assisted pillaring methodology that successfully intercalates silica-based pillars between Ti3C2 layers. Using this technique, the interlayer spacing can be controlled with the choice of amine and calcination temperature, up to a maximum of 3.2 nm, the largest interlayer spacing reported for an MXene. Another effect of the pillaring is a dramatic increase in surface area, achieving BET surface areas of 235 m2 g-1, a sixty-fold increase over the unpillared material and the highest reported for MXenes using an intercalation-based method. The intercalation mechanism was revealed by different characterisation techniques, allowing the surface chemistry to be optimised for the pillaring process. The porous MXene was tested for Na-ion battery applications, and showed superior capacity, rate capability and remarkable stability compared with non-pillared materials, retaining 98.5% capacity between the 50th and 100th cycles. These results demonstrate the applicability and promise of pillaring techniques applied to MXenes, providing a new approach to optimising their properties for a range of applications. Porous MXenes are very promising materials for a range of applications including energy storage, conversion, catalysis and gas separations.
- Published
- 2020
10. Identification and characterisation of high energy density P2-type Na2/3[Ni1/3−y/2Mn2/3−y/2Fey]O2 compounds for Na-ion batteries
- Author
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Somerville, J. W., primary, House, R. A., additional, Tapia-Ruiz, N., additional, Sobkowiak, A., additional, Ramos, S., additional, Chadwick, A. V., additional, Roberts, M. R., additional, Maitra, U., additional, and Bruce, P. G., additional
- Published
- 2018
- Full Text
- View/download PDF
11. Anion redox chemistry in the cobalt free 3D transition metal oxide intercalation electrode Li[Li0.2Ni0.2Mn0.6]O2
- Author
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Bruce, P, Luo, K, Roberts, M, Guerrini, N, Tapia-Ruiz, N, Hao, R, Massel, F, Pickup, D, Liu, Y, Guo, J, Chadwick, A, and Duda, L
- Abstract
Conventional intercalation cathodes for lithium batteries store charge in redox reactions associated with the transition metal cations, e.g. Mn3+/4+ in LiMn2O4, and this limits the energy storage of Li-ion batteries. Compounds such as Li[Li0.2Ni0.2Mn0.6]O2 exhibit a capacity to store charge in excess of the transition metal redox reactions. The additional capacity occurs at and above 4.5 V vs. Li+/Li. The capacity at 4.5 V is dominated by oxidation of the O2- anions accounting for ~0.43 e-/formula unit, with an additional 0.06 e-/formula unit being associated with O loss from the lattice. In contrast, the capacity above 4.5 V, is mainly O loss, ~ 0.08 e-/formula. The O redox reaction involves the formation of localized hole states on O during charge, which are located on O coordinated by (Mn4+/Li+). The results have been obtained by combining operando electrochemical mass spec on 18O labelled Li[Li0.2Ni0.2Mn0.6]O2 with XANES, soft X-ray spectroscopy, Resonant Inelastic X-ray spectroscopy and Raman spectroscopy. Finally the general features of O-redox are described with discussion about the role of comparatively ionic (less covalent) 3d metal-oxygen interaction on anion redox in lithium rich cathode materials.
- Published
- 2016
12. An X-Ray Absorption Spectroscopy Study of Ball-Milled Lithium Tantalate and Lithium Titanate Nanocrystals
- Author
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Chadwick, A.V., primary, Pickup, D.M., additional, Ramos, S., additional, Cibin, G., additional, Tapia-Ruiz, N., additional, Breuer, S., additional, Wohlmuth, D., additional, and Wilkening, M., additional
- Published
- 2017
- Full Text
- View/download PDF
13. Rate Dependent Performance Related to Crystal Structure Evolution of Na0.67Mn0.8Mg0.2O2 in a Sodium-Ion Battery
- Author
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Sharma, N, Tapia-Ruiz, N, Singh, G, Armstrong, AR, Pramudita, JC, Brand, HEA, Billaud, J, Bruce, PG, Rojo, T, Sharma, N, Tapia-Ruiz, N, Singh, G, Armstrong, AR, Pramudita, JC, Brand, HEA, Billaud, J, Bruce, PG, and Rojo, T
- Abstract
Sodium-ion batteries are considered as a favorable alternative to the widely used lithium-ion batteries for applications such as grid-scale energy storage. However, to meet the energy density and reliability that is necessary, electrodes that are structurally stable and well characterized during electrochemical cycling need to be developed. Here, we report on how the applied discharge current rate influences the structural evolution of Na0.67Mn0.8Mg0.2O2 electrode materials. A combination of ex situ and in situ X-ray diffraction (XRD) data were used to probe the structural transitions at the discharged state and during charge/discharge. Ex situ data shows a two-phase electrode at the discharged state comprised of phases that adopt Cmcm and P63/mmc symmetries at the 100 mA/g rate but a predominantly P63/mmc electrode at 200 and 400 mA/g rates. In situ synchrotron XRD data at 100 mA/g shows a solely P63/mmc electrode when 12 mA/g charge and 100 mA/g discharge is used even though ex situ XRD data shows the presence of both Cmcm and P63/mmc phases. The in situ data allows the Na site occupancy evolution to be determined as well as the rate of lattice expansion and contraction. Electrochemically, lower applied discharge currents, e.g., 100 mA/g, produce better capacity than higher applied currents, e.g., 400 mA/g, and this is related in part to the quantity of the Cmcm phase that is formed near the discharged state during a two-phase reaction (via ex situ measurements), with lower rates producing more of this Cmcm phase. Thus, producing more Cmcm phase allows access to higher capacities while higher rates show a lower utilization of the cathode during discharge as less (if any) Cmcm phase is formed. Therefore, this work shows how structural transitions can depend on the electrochemically applied current which has significant ramifications on how sodium-ion batteries, and batteries in general, are analyzed for performance during operation.
- Published
- 2015
14. Ultra-rapid microwave synthesis of Li3-x-yMxN (M = Co, Ni and Cu) nitridometallates
- Author
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Tapia-Ruiz, N., Laveda, J.V., Smith, R.I., Corr, S.A., Gregory, D.H., Tapia-Ruiz, N., Laveda, J.V., Smith, R.I., Corr, S.A., and Gregory, D.H.
- Abstract
Single phase nitridometallates Li3−x−yMxN (0.05 ≤ x ≤ 0.27; M = Co, Ni and Cu) with potential use as negative electrodes in lithium (Li+) ion batteries have been synthesised in <10 minutes via solid state reactions in a single mode cavity microwave reactor without an external susceptor. Reaction times are reduced by up to four orders of magnitude over previous synthetic methods. A combination of powder X-ray and neutron diffraction has provided detailed crystal structures of the vacancy-disordered nitrides. The electrochemical performance of these materials is comparable to that observed in conventionally-heated analogues.
- Published
- 2015
15. Identification and characterisation of high energy density P2-type Na2/3[Ni1/3−y/2Mn2/3−y/2Fey]O2 compounds for Na-ion batteries.
- Author
-
Somerville, J. W., House, R. A., Tapia-Ruiz, N., Sobkowiak, A., Ramos, S., Chadwick, A. V., Roberts, M. R., Maitra, U., and Bruce, P. G.
- Abstract
The composition space between MnO
2 , NaFeO2 , and Na[Ni1/2 Mn1/2 ]O2 has been explored with the goal of identifying Earth-abundant single-phase P2 cathode materials. This has led to the identification of two compounds, P2-Na2/3 [Ni1/3−y/2 Mn2/3−y/2 Fey ]O2 (y = 1/6, 1/3) which exhibit state of the art specific energies. These materials were further evaluated through galvanostatic cycling and X-ray absorption spectroscopy. [ABSTRACT FROM AUTHOR]- Published
- 2018
- Full Text
- View/download PDF
16. 2021 roadmap for sodium-ion batteries
- Author
-
Tapia-Ruiz, N, Armstrong, AR, Alptekin, H, Amores, MA, Au, H, Barker, J, Boston, R, Brant, WR, Brittain, JM, Chen, Y, Chhowalla, M, Choi, YS, Costa, SIR, Ribadeneyra, MC, Cussen, SA, Cussen, EJ, David, WIF, Desai, AV, Dickson, SAM, Eweka, EI, Forero-Saboya, JD, Grey, CP, Griffin, JM, Gross, P, Hua, X, Irvine, JTS, Johansson, P, Jones, MO, Karlsmo, M, Kendrick, E, Kim, E, Kolosov, OV, Li, Z, Mertens, SFL, Mogensen, R, Monconduit, L, Morris, RE, Naylor, AJ, Nikman, S, O'Keefe, CA, Ould, DMC, Palgrave, RG, Poizot, P, Ponrouch, A, Renault, S, Reynolds, EM, Rudola, A, Sayers, R, Scanlon, DO, Sen, S, Seymour, VR, Silván, B, Sougrati, MT, Stievano, L, Stone, GS, Thomas, CI, Titirici, MM, Tong, J, Wood, TJ, Wright, DS, and Younesi, R
- Subjects
energy materials ,batteries ,13. Climate action ,anodes ,sodium ion ,electrolytes ,7. Clean energy ,cathodes - Abstract
Increasing concerns regarding the sustainability of lithium sources, due to their limited availability and consequent expected price increase, have raised awareness of the importance of developing alternative energy-storage candidates that can sustain the ever-growing energy demand. Furthermore, limitations on the availability of the transition metals used in the manufacturing of cathode materials, together with questionable mining practices, are driving development towards more sustainable elements. Given the uniformly high abundance and cost-effectiveness of sodium, as well as its very suitable redox potential (close to that of lithium), sodium-ion battery technology offers tremendous potential to be a counterpart to lithium-ion batteries (LIBs) in different application scenarios, such as stationary energy storage and low-cost vehicles. This potential is reflected by the major investments that are being made by industry in a wide variety of markets and in diverse material combinations. Despite the associated advantages of being a drop-in replacement for LIBs, there are remarkable differences in the physicochemical properties between sodium and lithium that give rise to different behaviours, for example, different coordination preferences in compounds, desolvation energies, or solubility of the solid–electrolyte interphase inorganic salt components. This demands a more detailed study of the underlying physical and chemical processes occurring in sodium-ion batteries and allows great scope for groundbreaking advances in the field, from lab-scale to scale-up. This roadmap provides an extensive review by experts in academia and industry of the current state of the art in 2021 and the different research directions and strategies currently underway to improve the performance of sodium-ion batteries. The aim is to provide an opinion with respect to the current challenges and opportunities, from the fundamental properties to the practical applications of this technology.
17. Perspectives for next generation lithium-ion battery cathode materials
- Author
-
Naresh Gollapally, Edmund J. Cussen, Simon Price, Li Zhang, Harry S. Geddes, Beverley J. Inkson, Hugo Bronstein, Siân E. Dutton, Rebecca Boston, Seungkyu Park, Debasis Nayak, Xabier Martínez De Irujo Labalde, Laura Wheatcroft, Anthony R. West, Stephen Hull, Viktoria Falkowski, Kirstie McCombie, Peter J. Baker, Louis F. J. Piper, Venkateswarlu Daramalla, Nuria Tapia-Ruiz, Michael A. Hayward, Xuan Zhi, Beth I J Johnston, Judith L. MacManus-Driscoll, Beth E. Murdock, Bonan Zhu, Andrew L. Goodwin, Innes McClelland, Norman A. Fleck, Nirmalesh N. Anthonisamy, Helen Y. Playford, Chris J. Pickard, Alisyn J. Nedoma, Megan Wilson, Gabriel E. Pérez, Samuel G. Booth, Michael De Volder, Abby R. Haworth, Serena A. Cussen, Ziheng Lu, John M. Griffin, Simon J. Clarke, Joe C. Stallard, David O. Scanlon, Booth, SG [0000-0001-7643-4196], Nedoma, AJ [0000-0002-3537-2846], Anthonisamy, NN [0000-0001-8781-2789], Baker, PJ [0000-0002-2306-2648], Boston, R [0000-0002-2131-2236], Bronstein, H [0000-0003-0293-8775], Clarke, SJ [0000-0003-4599-8874], Cussen, EJ [0000-0002-2899-6888], Daramalla, V [0000-0002-6301-0922], De Volder, M [0000-0003-1955-2270], Dutton, SE [0000-0003-0984-5504], Falkowski, V [0000-0002-8570-7659], Fleck, NA [0000-0003-0224-1804], Geddes, HS [0000-0001-7296-3672], Gollapally, N [0000-0003-4068-3830], Goodwin, AL [0000-0001-9231-3749], Griffin, JM [0000-0002-8943-3835], Haworth, AR [0000-0001-6041-4641], Hayward, MA [0000-0002-6248-2063], Hull, S [0000-0001-6078-3463], Inkson, BJ [0000-0002-2631-9090], Johnston, BJ [0000-0002-3586-1682], Lu, Z [0000-0003-2239-8526], MacManus-Driscoll, JL [0000-0003-4987-6620], McClelland, I [0000-0001-9821-715X], McCombie, K [0000-0001-9109-5049], Nayak, D [0000-0002-9573-2807], Park, S [0000-0001-7741-2263], Pérez, GE [0000-0003-3150-8467], Pickard, CJ [0000-0002-9684-5432], Piper, LFJ [0000-0002-3421-3210], Playford, HY [0000-0001-5445-8605], Price, S [0000-0002-2959-3300], Scanlon, DO [0000-0001-9174-8601], Stallard, JC [0000-0003-2833-0565], Tapia-Ruiz, N [0000-0002-5005-7043], West, AR [0000-0002-5492-2102], Wheatcroft, L [0000-0003-2306-9791], Wilson, M [0000-0001-8682-8711], Zhang, L [0000-0003-0804-3411], Zhi, X [0000-0003-4416-7737], Zhu, B [0000-0001-5601-6130], Cussen, SA [0000-0002-9303-4220], and Apollo - University of Cambridge Repository
- Subjects
Battery (electricity) ,Materials science ,Physics ,QC1-999 ,General Engineering ,Network topology ,Engineering physics ,Cathode ,Lithium-ion battery ,4016 Materials Engineering ,law.invention ,Cost reduction ,law ,Energy density ,General Materials Science ,7 Affordable and Clean Energy ,Faraday cage ,TP248.13-248.65 ,Electrochemical energy storage ,Biotechnology ,40 Engineering - Abstract
Transitioning to electrified transport requires improvements in sustainability, energy density, power density, lifetime, and approved the cost of lithium-ion batteries, with significant opportunities remaining in the development of next-generation cathodes. This presents a highly complex, multiparameter optimization challenge, where developments in cathode chemical design and discovery, theoretical and experimental understanding, structural and morphological control, synthetic approaches, and cost reduction strategies can deliver performance enhancements required in the near- and longer-term. This multifaceted challenge requires an interdisciplinary approach to solve, which has seen the establishment of numerous academic and industrial consortia around the world to focus on cathode development. One such example is the Next Generation Lithium-ion Cathode Materials project, FutureCat, established by the UK’s Faraday Institution for electrochemical energy storage research in 2019, aimed at developing our understanding of existing and newly discovered cathode chemistries. Here, we present our perspective on persistent fundamental challenges, including protective coatings and additives to extend lifetime and improve interfacial ion transport, the design of existing and the discovery of new cathode materials where cation and cation-plus-anion redox-activity can be exploited to increase energy density, the application of earth-abundant elements that could ultimately reduce costs, and the delivery of new electrode topologies resistant to fracture which can extend battery lifetime.
- Published
- 2021
- Full Text
- View/download PDF
18. 2021 roadmap for sodium-ion batteries
- Author
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John T. S. Irvine, Emma Kendrick, Valerie R. Seymour, Aamod V. Desai, Edmund J. Cussen, Peter Gross, Andrew J. Naylor, Maria-Magdalena Titirici, Jake M. Brittain, Rebecca Boston, Ruth Sayers, Stewart A. M. Dickson, Sudeshna Sen, Sara I. R. Costa, Zhuangnan Li, Ashish Rudola, Heather Au, Dominic S. Wright, Nuria Tapia-Ruiz, Yongseok Choi, Hande Alptekin, John M. Griffin, Martin O. Jones, Marco Amores, Shahin Nikman, Eun Jeong Kim, A. Robert Armstrong, Reza Younesi, Maria Crespo Ribadeneyra, Laure Monconduit, William I. F. David, Christopher I Thomas, Patrik Johansson, Serena A. Cussen, Grant S. Stone, Jincheng Tong, Russell E. Morris, Clare P. Grey, Alexandre Ponrouch, Oleg Kolosov, Emmanuel I. Eweka, Darren M. C. Ould, Robert G. Palgrave, Thomas J. Wood, Yue Chen, Jerry Barker, Ronnie Mogensen, Stijn F. L. Mertens, Philippe Poizot, Juan Forero-Saboya, David O. Scanlon, Manish Chhowalla, Lorenzo Stievano, Emily M. Reynolds, Xiao Hua, Moulay Tahar Sougrati, William R. Brant, Martin Karlsmo, Stéven Renault, Christopher A. O’Keefe, Begoña Silván, Lancaster University, Harwell Science and Innovation Campus, Imperial College London, University of Sheffield [Sheffield], Faradion Limited, University of Virginia [Charlottesville], University of Oxford [Oxford], University of Cambridge [UK] (CAM), University College of London [London] (UCL), University of St Andrews [Scotland], AUTRES, Institut de Ciència de Materials de Barcelona (ICMAB-CSIC), Chalmers University of Technology [Gothenburg, Sweden], Science and Technology Facilities Council (STFC), University of Birmingham [Birmingham], Uppsala University, Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM)-Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-Institut de Chimie du CNRS (INC), Réseau sur le stockage électrochimique de l'énergie (RS2E), Université de Picardie Jules Verne (UPJV)-Institut de Chimie du CNRS (INC)-Aix Marseille Université (AMU)-Université de Pau et des Pays de l'Adour (UPPA)-Université de Nantes (UN)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Sorbonne Université (SU)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM), Institut des Matériaux Jean Rouxel (IMN), Université de Nantes - UFR des Sciences et des Techniques (UN UFR ST), Université de Nantes (UN)-Université de Nantes (UN)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Ecole Polytechnique de l'Université de Nantes (EPUN), Université de Nantes (UN)-Université de Nantes (UN), Alistore, European Commission, Swedish Research Council, Swedish Energy Agency, Swedish Research Council for Environment, Agricultural Sciences and Spatial Planning, Ministerio de Economía, Industria y Competitividad (España), Faraday Institution, Austrian Science Fund, Innovate UK, Tapia-Ruiz, Nuria [0000-0002-5005-7043], Armstrong, A Robert [0000-0003-1937-0936], Alptekin, Hande [0000-0001-6065-0513], Au, Heather [0000-0002-1652-2204], Barker, Jerry [0000-0002-8791-1119], Brant, William R [0000-0002-8658-8938], Choi, Yong-Seok [0000-0002-3737-2989], Costa, Sara I R [0000-0001-8105-207X], Crespo Ribadeneyra, Maria [0000-0001-6455-4430], Cussen, Serena A [0000-0002-9303-4220], Desai, Aamod V [0000-0001-7219-3428], Forero-Saboya, Juan D [0000-0002-3403-6066], Griffin, John M [0000-0002-8943-3835], Irvine, John T S [0000-0002-8394-3359], Johansson, Patrik [0000-0002-9907-117X], Karlsmo, Martin [0000-0002-0437-6860], Kendrick, Emma [0000-0002-4219-964X], Kolosov, Oleg V [0000-0003-3278-9643], Mertens, Stijn F L [0000-0002-5715-0486], Monconduit, Laure [0000-0003-3698-856X], Naylor, Andrew J [0000-0001-5641-7778], Poizot, Philippe [0000-0003-1865-4902], Renault, Stéven [0000-0002-6500-0015], Rudola, Ashish [0000-0001-9368-0698], Sayers, Ruth [0000-0003-1289-0998], Seymour, Valerie R [0000-0003-3333-5512], Silván, Begoña [0000-0002-1273-3098], Sougrati, Moulay Tahar [0000-0003-3740-2807], Stievano, Lorenzo [0000-0001-8548-0231], Thomas, Chris I [0000-0001-8090-4541], Titirici, Maria-Magdalena [0000-0003-0773-2100], Tong, Jincheng [0000-0001-7762-1460], Wood, Thomas J [0000-0002-5893-5664], Younesi, Reza [0000-0003-2538-8104], Apollo - University of Cambridge Repository, Kim, Eunjeong [0000-0002-2941-068], Kim, Eunjeong [0000-0002-2941-0682], University of Virginia, University of Oxford, Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM), Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), Université de Nantes (UN)-Aix Marseille Université (AMU)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Université de Picardie Jules Verne (UPJV)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Pau et des Pays de l'Adour (UPPA)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA), Université de Nantes (UN)-Université de Nantes (UN)-Ecole Polytechnique de l'Université de Nantes (EPUN), Université de Nantes (UN)-Université de Nantes (UN)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Tapia-Ruiz, N [0000-0002-5005-7043], Armstrong, AR [0000-0003-1937-0936], Alptekin, H [0000-0001-6065-0513], Au, H [0000-0002-1652-2204], Barker, J [0000-0002-8791-1119], Brant, WR [0000-0002-8658-8938], Choi, YS [0000-0002-3737-2989], Costa, SIR [0000-0001-8105-207X], Ribadeneyra, MC [0000-0001-6455-4430], Cussen, SA [0000-0002-9303-4220], Desai, AV [0000-0001-7219-3428], Forero-Saboya, JD [0000-0002-3403-6066], Griffin, JM [0000-0002-8943-3835], Irvine, JTS [0000-0002-8394-3359], Johansson, P [0000-0002-9907-117X], Karlsmo, M [0000-0002-0437-6860], Kendrick, E [0000-0002-4219-964X], Kolosov, OV [0000-0003-3278-9643], Mertens, SFL [0000-0002-5715-0486], Monconduit, L [0000-0003-3698-856X], Naylor, AJ [0000-0001-5641-7778], Poizot, P [0000-0003-1865-4902], Renault, S [0000-0002-6500-0015], Rudola, A [0000-0001-9368-0698], Sayers, R [0000-0003-1289-0998], Seymour, VR [0000-0003-3333-5512], Silván, B [0000-0002-1273-3098], Sougrati, MT [0000-0003-3740-2807], Stievano, L [0000-0001-8548-0231], Thomas, CI [0000-0001-8090-4541], Titirici, MM [0000-0003-0773-2100], Tong, J [0000-0001-7762-1460], Wood, TJ [0000-0002-5893-5664], Younesi, R [0000-0003-2538-8104], The Faraday Institution, University of St Andrews. School of Chemistry, University of St Andrews. Centre for Energy Ethics, University of St Andrews. Centre for Designer Quantum Materials, and University of St Andrews. EaSTCHEM
- Subjects
Chemical process ,Technology ,Computer science ,PAIR DISTRIBUTION FUNCTION ,HIGH-ENERGY DENSITY ,ELECTROCHEMICAL PROPERTIES ,Materialkemi ,02 engineering and technology ,01 natural sciences ,7. Clean energy ,Materials Chemistry ,QD ,LITHIUM-ION ,Energy demand ,Scope (project management) ,anodes ,NA2TI3O7 NANOSHEETS ,[CHIM.MATE]Chemical Sciences/Material chemistry ,sodium ion ,021001 nanoscience & nanotechnology ,Variety (cybernetics) ,General Energy ,Roadmap ,T-DAS ,Lithium ,0210 nano-technology ,Battery (electricity) ,energy materials ,Energy & Fuels ,HIGH-CAPACITY ANODE ,batteries ,Materials Science (miscellaneous) ,Materials Science ,chemistry.chemical_element ,Materials Science, Multidisciplinary ,electrolytes ,010402 general chemistry ,Energy storage ,MECHANISTIC INSIGHTS ,SDG 7 - Affordable and Clean Energy ,STRUCTURAL EVOLUTION ,SOLID-ELECTROLYTE INTERPHASE ,Science & Technology ,QD Chemistry ,0104 chemical sciences ,chemistry ,13. Climate action ,Sustainability ,HIGH-PERFORMANCE CATHODE ,Biochemical engineering ,cathodes - Abstract
Tapia-Ruiz, Nuria et al., Increasing concerns regarding the sustainability of lithium sources, due to their limited availability and consequent expected price increase, have raised awareness of the importance of developing alternative energy-storage candidates that can sustain the ever-growing energy demand. Furthermore, limitations on the availability of the transition metals used in the manufacturing of cathode materials, together with questionable mining practices, are driving development towards more sustainable elements. Given the uniformly high abundance and cost-effectiveness of sodium, as well as its very suitable redox potential (close to that of lithium), sodium-ion battery technology offers tremendous potential to be a counterpart to lithium-ion batteries (LIBs) in different application scenarios, such as stationary energy storage and low-cost vehicles. This potential is reflected by the major investments that are being made by industry in a wide variety of markets and in diverse material combinations. Despite the associated advantages of being a drop-in replacement for LIBs, there are remarkable differences in the physicochemical properties between sodium and lithium that give rise to different behaviours, for example, different coordination preferences in compounds, desolvation energies, or solubility of the solid–electrolyte interphase inorganic salt components. This demands a more detailed study of the underlying physical and chemical processes occurring in sodium-ion batteries and allows great scope for groundbreaking advances in the field, from lab-scale to scale-up. This roadmap provides an extensive review by experts in academia and industry of the current state of the art in 2021 and the different research directions and strategies currently underway to improve the performance of sodium-ion batteries. The aim is to provide an opinion with respect to the current challenges and opportunities, from the fundamental properties to the practical applications of this technology., The authors gratefully acknowledge RS2E and Alistore-ERI for funding their research into Na-ion batteries. The funding received from the European Union’s Horizon 2020 research and innovation programme under Grant Agreement No. 646433 (NAIADES), the Swedish Research Council, the Swedish Energy Agency (#37671-1), and the Swedish Research Council for Environment, Agricultural Sciences and Spatial Planning (FORMAS), are all gratefully acknowledged. The many fruitful discussions within ALISTORE-ERI, and especially with M Rosa Palacín, have been most valuable. P J is also grateful for the continuous support from several of the Chalmers Areas of Advance: Materials Science and Energy. Funding from the European Union’s innovation program H2020 is acknowledged: H2020-MSCA-COFUND-2016 (DOC-FAM, Grant Agreement No. 754397). A Ponrouch is grateful to the Spanish Ministry for Economy, Industry and Competitiveness Severo Ochoa Programme for Centres of Excellence in R&D (SEV-2015-0496).
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- 2021
19. Facile Synthesis of Organically Synthesized Porous Carbon Using a Commercially Available Route with Exceptional Electrochemical Performance.
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Rowling A, Doulcet J, Dawson R, Tapia-Ruiz N, and Trewin A
- Abstract
Organically synthesized porous carbon (OSPC) is a subclass of conjugated microporous polymer materials that have shown potential applications as anodes in ion batteries. However, a challenging, low-yielding, multistep synthetic route (the A method) has hindered further exploration of this exciting family. Here, OSPC-1 has been synthesized via an alternative, efficient one-pot method from commercially available reagents (the B method), hereafter referred to as OSPC-1b in contrast to OSPC-1a, where it is synthesized via the A method. Characterization revealed the same polymer structure and the highest surface area to date of an OSPC (or OSPC analogue) family member for OSPC-1b with 909 m
2 g-1 . OSPC-1b was tested as an anode for Li-ion batteries, demonstrating the same high capacity, fast charging, resistance to degradation, and inhibition of the formation of dangerous lithium dendrites as OSPC-1a. Furthermore, the electrochemical properties of OSPC-0 were evaluated for the first time, agreeing with previously predicted values, giving scope for the design and targeting of specific properties.- Published
- 2024
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20. The importance of A-site cation chemistry in superionic halide solid electrolytes.
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Barker K, McKinney SL, Artal R, Jiménez R, Tapia-Ruiz N, Skinner SJ, Aguadero A, and Seymour ID
- Abstract
Halide solid electrolytes do not currently display ionic conductivities suitable for high-power all-solid-state batteries. We explore the model system A
2 ZrCl6 (A = Li, Na, Cu, Ag) to understand the fundamental role that A-site chemistry plays on fast ion transport. Having synthesised the previously unknown Ag2 ZrCl6 we reveal high room temperature ionic conductivities in Cu2 ZrCl6 and Ag2 ZrCl6 of 1 × 10-2 and 4 × 10-3 S cm-1 , respectively. We introduce the concept that there are inherent limits to ionic conductivity in solids, where the energy and number of transition states play pivotal roles. Transport that involves multiple coordination changes along the pathway suffer from an intrinsic minimum activation energy. At certain lattice sizes, the energies of different coordinations can become equivalent, leading to lower barriers when a pathway involves a single coordination change. Our models provide a deeper understanding into the optimisation and design criteria for halide superionic conductors., (© 2024. The Author(s).)- Published
- 2024
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21. Li-Site Defects Induce Formation of Li-Rich Impurity Phases: Implications for Charge Distribution and Performance of LiNi 0.5- x M x Mn 1.5 O 4 Cathodes (M = Fe and Mg; x = 0.05-0.2).
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Murdock BE, Cen J, Squires AG, Kavanagh SR, Scanlon DO, Zhang L, and Tapia-Ruiz N
- Abstract
An understanding of the structural properties that allow for optimal cathode performance, and their origin, is necessary for devising advanced cathode design strategies and accelerating the commercialization of next-generation cathodes. High-voltage, Fe- and Mg-substituted LiNi
0.5 Mn1.5 O4 cathodes offer a low-cost, cobalt-free, yet energy-dense alternative to commercial cathodes. In this work, the effect of substitution on several important structure properties is explored, including Ni/Mn ordering, charge distribution, and extrinsic defects. In the cation-disordered samples studied, a correlation is observed between increased Fe/Mg substitution, Li-site defects, and Li-rich impurity phase formation-the concentrations of which are greater for Mg-substituted samples. This is attributed to the lower formation energy of MgLi defects when compared to FeLi defects. Li-site defect-induced impurity phases consequently alter the charge distribution of the system, resulting in increased [Mn3+ ] with Fe/Mg substitution. In addition to impurity phases, other charge compensators are also investigated to explain the origin of Mn3+ (extrinsic defects, [Ni3+ ], oxygen vacancies and intrinsic off-stoichiometry), although their effects are found to be negligible., (© 2024 The Authors. Advanced Materials published by Wiley‐VCH GmbH.)- Published
- 2024
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22. Electron paramagnetic resonance as a tool to determine the sodium charge storage mechanism of hard carbon.
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Wang B, Fitzpatrick JR, Brookfield A, Fielding AJ, Reynolds E, Entwistle J, Tong J, Spencer BF, Baldock S, Hunter K, Kavanagh CM, and Tapia-Ruiz N
- Abstract
Hard carbon is a promising negative electrode material for rechargeable sodium-ion batteries due to the ready availability of their precursors and high reversible charge storage. The reaction mechanisms that drive the sodiation properties in hard carbons and subsequent electrochemical performance are strictly linked to the characteristic slope and plateau regions observed in the voltage profile of these materials. This work shows that electron paramagnetic resonance (EPR) spectroscopy is a powerful and fast diagnostic tool to predict the extent of the charge stored in the slope and plateau regions during galvanostatic tests in hard carbon materials. EPR lineshape simulation and temperature-dependent measurements help to separate the nature of the spins in mechanochemically modified hard carbon materials synthesised at different temperatures. This proves relationships between structure modification and electrochemical signatures in the galvanostatic curves to obtain information on their sodium storage mechanism. Furthermore, through ex situ EPR studies we study the evolution of these EPR signals at different states of charge to further elucidate the storage mechanisms in these carbons. Finally, we discuss the interrelationship between EPR spectroscopy data of the hard carbon samples studied and their corresponding charging storage mechanism., (© 2024. The Author(s).)
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- 2024
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23. Structural Insight into Protective Alumina Coatings for Layered Li-Ion Cathode Materials by Solid-State NMR Spectroscopy.
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Haworth AR, Johnston BIJ, Wheatcroft L, McKinney SL, Tapia-Ruiz N, Booth SG, Nedoma AJ, Cussen SA, and Griffin JM
- Abstract
Layered transition metal oxide cathode materials can exhibit high energy densities in Li-ion batteries, in particular, those with high Ni contents such as LiNiO
2 . However, the stability of these Ni-rich materials often decreases with increased nickel content, leading to capacity fade and a decrease in the resulting electrochemical performance. Thin alumina coatings have the potential to improve the longevity of LiNiO2 cathodes by providing a protective interface to stabilize the cathode surface. The structures of alumina coatings and the chemistry of the coating-cathode interface are not fully understood and remain the subject of investigation. Greater structural understanding could help to minimize excess coating, maximize conductive pathways, and maintain high capacity and rate capability while improving capacity retention. Here, solid-state nuclear magnetic resonance (NMR) spectroscopy, paired with powder X-ray diffraction and electron microscopy, is used to provide insight into the structures of the Al2 O3 coatings on LiNiO2 . To do this, we performed a systematic study as a function of coating thickness and used LiCoO2 , a diamagnetic model, and the material of interest, LiNiO2 .27 Al magic-angle spinning (MAS) NMR spectra acquired for thick 10 wt % coatings on LiCoO2 and LiNiO2 suggest that in both cases, the coatings consist of disordered four- and six-coordinate Al-O environments. However,27 Al MAS NMR spectra acquired for thinner 0.2 wt % coatings on LiCoO2 identify additional phases believed to be LiCo1- x Alx O2 and LiAlO2 at the coating-cathode interface.6,7 Li MAS NMR and T1 measurements suggest that similar mixing takes place near the interface for Al2 O3 on LiNiO2 . Furthermore, reproducibility studies have been undertaken to investigate the effect of the coating method on the local structure, as well as the role of the substrate.- Published
- 2024
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24. Nanoarchitecture factors of solid electrolyte interphase formation via 3D nano-rheology microscopy and surface force-distance spectroscopy.
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Chen Y, Wu W, Gonzalez-Munoz S, Forcieri L, Wells C, Jarvis SP, Wu F, Young R, Dey A, Isaacs M, Nagarathinam M, Palgrave RG, Tapia-Ruiz N, and Kolosov OV
- Abstract
The solid electrolyte interphase in rechargeable Li-ion batteries, its dynamics and, significantly, its nanoscale structure and composition, hold clues to high-performing and safe energy storage. Unfortunately, knowledge of solid electrolyte interphase formation is limited due to the lack of in situ nano-characterization tools for probing solid-liquid interfaces. Here, we link electrochemical atomic force microscopy, three-dimensional nano-rheology microscopy and surface force-distance spectroscopy, to study, in situ and operando, the dynamic formation of the solid electrolyte interphase starting from a few 0.1 nm thick electrical double layer to the full three-dimensional nanostructured solid electrolyte interphase on the typical graphite basal and edge planes in a Li-ion battery negative electrode. By probing the arrangement of solvent molecules and ions within the electric double layer and quantifying the three-dimensional mechanical property distribution of organic and inorganic components in the as-formed solid electrolyte interphase layer, we reveal the nanoarchitecture factors and atomistic picture of initial solid electrolyte interphase formation on graphite-based negative electrodes in strongly and weakly solvating electrolytes., (© 2023. The Author(s).)
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- 2023
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25. Intrinsic Defects and Their Role in the Phase Transition of Na-Ion Anode Na 2 Ti 3 O 7 .
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Choi YS, Costa SIR, Tapia-Ruiz N, and Scanlon DO
- Abstract
The development of high-power anode materials for Na-ion batteries is one of the primary obstacles due to the growing demands for their use in the smart grid. Despite the appealingly low cost and non-toxicity, Na
2 Ti3 O7 suffers from low electrical conductivity and poor structural stability, which restricts its use in high-power applications. Viable approaches for overcoming these drawbacks reported to date are aliovalent doping and hydrogenation/hydrothermal treatments, both of which are closely intertwined with native defects. There is still a lack of knowledge, however, of the intrinsic defect chemistry of Na2 Ti3 O7 , which impairs the rational design of high-power titanate anodes. Here, we report hybrid density functional theory calculations of the native defect chemistry of Na2 Ti3 O7 . The defect calculations show that the insulating properties of Na2 Ti3 O7 arise from the Na and O Schottky disorder that act as major charge compensators. Under high-temperature hydrogenation treatment, these Schottky pairs of Na and O vacancies become dominant defects in Na2 Ti3 O7 , triggering the spontaneous partial phase transition to Na2 Ti6 O13 and improving the electrical conductivity of the composite anode. Our findings provide an explanation on the interplay between intrinsic defects, structural phase transitions, and electrical conductivity, which can aid understanding of the properties of composite materials obtained from phase transitions., Competing Interests: The authors declare no competing financial interest., (© 2022 The Authors. Published by American Chemical Society.)- Published
- 2023
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26. Synthesis, characterisation, and feasibility studies on the use of vanadium tellurate(vi) as a cathode material for aqueous rechargeable Zn-ion batteries.
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Nagarathinam M, Soares C, Chen Y, Seymour VR, Mazanek V, Isaacs MA, Sofer Z, Kolosov O, Griffin JM, and Tapia-Ruiz N
- Abstract
Aqueous rechargeable zinc-ion batteries (AZIBs) have drawn enormous attention in stationary applications due to their high safety and low cost. However, the search for new positive electrode materials with satisfactory electrochemical performance for practical applications remains a challenge. In this work, we report a comprehensive study on the use of the vanadium tellurate (NH
4 )4 {(VO2 )2 [Te2 O8 (OH)2 ]}·2H2 O, which is tested for the first time as a cathode material in AZIBs., Competing Interests: There are no conflicts to declare., (This journal is © The Royal Society of Chemistry.)- Published
- 2022
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27. Pillared Mo 2 TiC 2 MXene for high-power and long-life lithium and sodium-ion batteries.
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Maughan PA, Bouscarrat L, Seymour VR, Shao S, Haigh SJ, Dawson R, Tapia-Ruiz N, and Bimbo N
- Abstract
In this work, we apply an amine-assisted silica pillaring method to create the first example of a porous Mo
2 TiC2 MXene with nanoengineered interlayer distances. The pillared Mo2 TiC2 has a surface area of 202 m2 g-1 , which is among the highest reported for any MXene, and has a variable gallery height between 0.7 and 3 nm. The expanded interlayer distance leads to significantly enhanced cycling performance for Li-ion storage, with superior capacity, rate capably and cycling stability in comparison to the non-pillared analogue. The pillared Mo2 TiC2 achieved a capacity over 1.7 times greater than multilayered MXene at 20 mA g-1 (≈320 mA h g-1 ) and 2.5 times higher at 1 A g-1 (≈150 mA h g-1 ). The fast-charging properties of pillared Mo2 TiC2 are further demonstrated by outstanding stability even at 1 A g-1 (under 8 min charge time), retaining 80% of the initial capacity after 500 cycles. Furthermore, we use a combination of spectroscopic techniques ( i.e. XPS, NMR and Raman) to show unambiguously that the charge storage mechanism of this MXene occurs by a conversion reaction through the formation of Li2 O. This reaction increases by 2-fold the capacity beyond intercalation, and therefore, its understanding is crucial for further development of this family of materials. In addition, we also investigate for the first time the sodium storage properties of the pillared and non-pillared Mo2 TiC2 ., Competing Interests: There are no conflicts to declare., (This journal is © The Royal Society of Chemistry.)- Published
- 2021
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28. Surface Engineering Strategy Using Urea To Improve the Rate Performance of Na 2 Ti 3 O 7 in Na-Ion Batteries.
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Costa SIR, Choi YS, Fielding AJ, Naylor AJ, Griffin JM, Sofer Z, Scanlon DO, and Tapia-Ruiz N
- Abstract
Na
2 Ti3 O7 (NTO) is considered a promising anode material for Na-ion batteries due to its layered structure with an open framework and low and safe average operating voltage of 0.3 V vs. Na+ /Na. However, its poor electronic conductivity needs to be addressed to make this material attractive for practical applications among other anode choices. Here, we report a safe, controllable and affordable method using urea that significantly improves the rate performance of NTO by producing surface defects such as oxygen vacancies and hydroxyl groups, and the secondary phase Na2 Ti6 O13 . The enhanced electrochemical performance agrees with the higher Na+ ion diffusion coefficient, higher charge carrier density and reduced bandgap observed in these samples, without the need of nanosizing and/or complex synthetic strategies. A comprehensive study using a combination of diffraction, microscopic, spectroscopic and electrochemical techniques supported by computational studies based on DFT calculations, was carried out to understand the effects of this treatment on the surface, chemistry and electronic and charge storage properties of NTO. This study underscores the benefits of using urea as a strategy for enhancing the charge storage properties of NTO and thus, unfolding the potential of this material in practical energy storage applications., (© 2020 The Authors. Published by Wiley-VCH GmbH.)- Published
- 2021
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29. Low dimensional nanostructures of fast ion conducting lithium nitride.
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Tapia-Ruiz N, Gordon AG, Jewell CM, Edwards HK, Dunnill CW, Blackman JM, Snape CP, Brown PD, MacLaren I, Baldoni M, Besley E, Titman JJ, and Gregory DH
- Abstract
As the only stable binary compound formed between an alkali metal and nitrogen, lithium nitride possesses remarkable properties and is a model material for energy applications involving the transport of lithium ions. Following a materials design principle drawn from broad structural analogies to hexagonal graphene and boron nitride, we demonstrate that such low dimensional structures can also be formed from an s-block element and nitrogen. Both one- and two-dimensional nanostructures of lithium nitride, Li
3 N, can be grown despite the absence of an equivalent van der Waals gap. Lithium-ion diffusion is enhanced compared to the bulk compound, yielding materials with exceptional ionic mobility. Li3 N demonstrates the conceptual assembly of ionic inorganic nanostructures from monolayers without the requirement of a van der Waals gap. Computational studies reveal an electronic structure mediated by the number of Li-N layers, with a transition from a bulk narrow-bandgap semiconductor to a metal at the nanoscale.- Published
- 2020
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30. Porous Silica-Pillared MXenes with Controllable Interlayer Distances for Long-Life Na-Ion Batteries.
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Maughan PA, Seymour VR, Bernardo-Gavito R, Kelly DJ, Shao S, Tantisriyanurak S, Dawson R, Haigh SJ, Young RJ, Tapia-Ruiz N, and Bimbo N
- Abstract
MXenes are a recently discovered class of two-dimensional materials that have shown great potential as electrodes in electrochemical energy storage devices. Despite their promise in this area, MXenes can still suffer limitations in the form of restricted ion accessibility between the closely spaced multistacked MXene layers causing low capacities and poor cycle life. Pillaring, where a secondary species is inserted between layers, has been used to increase interlayer spacings in clays with great success but has had limited application in MXenes. We report a new amine-assisted pillaring methodology that successfully intercalates silica-based pillars between Ti
3 C2 layers. Using this technique, the interlayer spacing can be controlled with the choice of amine and calcination temperature, up to a maximum of 3.2 nm, the largest interlayer spacing reported for an MXene. Another effect of the pillaring is a dramatic increase in surface area, achieving BET surface areas of 235 m2 g-1 , a sixty-fold increase over the unpillared material and the highest reported for MXenes using an intercalation-based method. The intercalation mechanism was revealed by different characterization techniques, allowing the surface chemistry to be optimized for the pillaring process. The porous MXene was tested for Na-ion battery applications and showed superior capacity, rate capability and remarkable stability compared with those of the nonpillared materials, retaining 98.5% capacity between the 50th and 100th cycles. These results demonstrate the applicability and promise of pillaring techniques applied to MXenes providing a new approach to optimizing their properties for a range of applications, including energy storage, conversion, catalysis, and gas separations.- Published
- 2020
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31. Oxygen redox chemistry without excess alkali-metal ions in Na 2/3 [Mg 0.28 Mn 0.72 ]O 2 .
- Author
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Maitra U, House RA, Somerville JW, Tapia-Ruiz N, Lozano JG, Guerrini N, Hao R, Luo K, Jin L, Pérez-Osorio MA, Massel F, Pickup DM, Ramos S, Lu X, McNally DE, Chadwick AV, Giustino F, Schmitt T, Duda LC, Roberts MR, and Bruce PG
- Abstract
The search for improved energy-storage materials has revealed Li- and Na-rich intercalation compounds as promising high-capacity cathodes. They exhibit capacities in excess of what would be expected from alkali-ion removal/reinsertion and charge compensation by transition-metal (TM) ions. The additional capacity is provided through charge compensation by oxygen redox chemistry and some oxygen loss. It has been reported previously that oxygen redox occurs in O 2p orbitals that interact with alkali ions in the TM and alkali-ion layers (that is, oxygen redox occurs in compounds containing Li
+ -O(2p)-Li+ interactions). Na2/3 [Mg0.28 Mn0.72 ]O2 exhibits an excess capacity and here we show that this is caused by oxygen redox, even though Mg2+ resides in the TM layers rather than alkali-metal (AM) ions, which demonstrates that excess AM ions are not required to activate oxygen redox. We also show that, unlike the alkali-rich compounds, Na2/3 [Mg0.28 Mn0.72 ]O2 does not lose oxygen. The extraction of alkali ions from the alkali and TM layers in the alkali-rich compounds results in severely underbonded oxygen, which promotes oxygen loss, whereas Mg2+ remains in Na2/3 [Mg0.28 Mn0.72 ]O2 , which stabilizes oxygen.- Published
- 2018
- Full Text
- View/download PDF
32. Anion Redox Chemistry in the Cobalt Free 3d Transition Metal Oxide Intercalation Electrode Li[Li0.2Ni0.2Mn0.6]O2.
- Author
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Luo K, Roberts MR, Guerrini N, Tapia-Ruiz N, Hao R, Massel F, Pickup DM, Ramos S, Liu YS, Guo J, Chadwick AV, Duda LC, and Bruce PG
- Abstract
Conventional intercalation cathodes for lithium batteries store charge in redox reactions associated with the transition metal cations, e.g., Mn(3+/4+) in LiMn2O4, and this limits the energy storage of Li-ion batteries. Compounds such as Li[Li0.2Ni0.2Mn0.6]O2 exhibit a capacity to store charge in excess of the transition metal redox reactions. The additional capacity occurs at and above 4.5 V versus Li(+)/Li. The capacity at 4.5 V is dominated by oxidation of the O(2-) anions accounting for ∼0.43 e(-)/formula unit, with an additional 0.06 e(-)/formula unit being associated with O loss from the lattice. In contrast, the capacity above 4.5 V is mainly O loss, ∼0.08 e(-)/formula. The O redox reaction involves the formation of localized hole states on O during charge, which are located on O coordinated by (Mn(4+)/Li(+)). The results have been obtained by combining operando electrochemical mass spec on (18)O labeled Li[Li0.2Ni0.2Mn0.6]O2 with XANES, soft X-ray spectroscopy, resonant inelastic X-ray spectroscopy, and Raman spectroscopy. Finally the general features of O redox are described with discussion about the role of comparatively ionic (less covalent) 3d metal-oxygen interaction on anion redox in lithium rich cathode materials.
- Published
- 2016
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33. Modern microwave methods in solid-state inorganic materials chemistry: from fundamentals to manufacturing.
- Author
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Kitchen HJ, Vallance SR, Kennedy JL, Tapia-Ruiz N, Carassiti L, Harrison A, Whittaker AG, Drysdale TD, Kingman SW, and Gregory DH
- Published
- 2014
- Full Text
- View/download PDF
34. Rapid Microwave Synthesis, Characterization and Reactivity of Lithium Nitride Hydride, Li₄NH.
- Author
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Tapia-Ruiz N, Sorbie N, Vaché N, Hoang TKA, and Gregory DH
- Abstract
Lithium nitride hydride, Li₄NH, was synthesised from lithium nitride and lithium hydride over minute timescales, using microwave synthesis methods in the solid state for the first time. The structure of the microwave-synthesised powders was confirmed by powder X-ray diffraction [tetragonal space group I 4₁ /a ; a = 4.8864(1) Å, c = 9.9183(2) Å] and the nitride hydride reacts with moist air under ambient conditions to produce lithium hydroxide and subsequently lithium carbonate. Li₄NH undergoes no dehydrogenation or decomposition [under Ar
(g) ] below 773 K. A tetragonal-cubic phase transition, however, occurs for the compound at ca . 770 K. The new high temperature (HT) phase adopts an anti -fluorite structure (space group Fm 3̅ m ; a = 4.9462(3) Å) with N3- and H- ions disordered on the 4 a sites. Thermal treatment of Li₄NH under nitrogen yields a stoichiometric mixture of lithium nitride and lithium imide (Li₃N and Li₂NH respectively).- Published
- 2013
- Full Text
- View/download PDF
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