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3. Azo-functionalised metal–organic framework for charge storage in sodium-ion batteries †

Author

Desai, Aamod V., Seymour, Valerie R., Ettlinger, Romy, Pramanik, Atin, Manche, Alexis G., Rainer, Daniel N., Wheatley, Paul S., Griffin, John M., Morris, Russell E., Armstrong, A. Robert, Desai, Aamod V., Seymour, Valerie R., Ettlinger, Romy, Pramanik, Atin, Manche, Alexis G., Rainer, Daniel N., Wheatley, Paul S., Griffin, John M., Morris, Russell E., and Armstrong, A. Robert

Abstract

Sodium-ion batteries (NIBs) are emerging as promising devices for energy storage applications. Porous solids, such as metal–organic frameworks (MOFs), are well suited as electrode materials for technologies involving bulkier charge carriers. However, only limited progress has been made using pristine MOFs, primarily due to lack of redox-active organic groups in the materials. In this work a azo-functional MOF, namely UiO-abdc, is presented as an electrode compound for sodium-ion insertion. The MOF delivers a stable capacity (∼100 mA h g−1) over 150 cycles, and post-cycling characterisation validates the stability of the MOF and participation of the azo-group in charge storage. This study can accelerate the realisation of pristine solids, such as MOFs and other porous organic compounds, as battery materials.

Published
2023

4. ADOR zeolite with 12 × 8 × 8-ring pores derived from IWR germanosilicate.

Author

Yue, Qiudi, Kasneryk, Valeryia, Mazur, Michal, Abdi, Sarra, Zhou, Yong, Wheatley, Paul S., Morris, Russell E., Čejka, Jiří, Shamzhy, Mariya, and Opanasenko, Maksym

Abstract

Zeolites have been well known for decades as catalytic materials and adsorbents and are traditionally prepared using the bottom-up synthesis method. Although it was productive for more than 250 zeolite frameworks, the conventional solvothermal synthesis approach provided limited control over the structural characteristics of the formed materials. In turn, the discovery and development of the Assembly-Disassembly-Organization-Reassembly (ADOR) strategy for the regioselective manipulation of germanosilicates enabled the synthesis of previously unattainable zeolites with predefined structures. To date, the family tree of ADOR materials has included the topological branches of UTL, UOV, IWW, *CTH, and IWV zeolites. Herein, we report on the expansion of ADOR zeolites with a new branch related to the IWR topology, which is yet unattainable experimentally but theoretically predicted as highly promising adsorbents for CO2 separation applications. The optimization of not only the chemical composition but also the dimensions of the crystalline domain in the parent IWR zeolite in the Assembly step was found to be the key to the success of its ADOR transformation into previously unknown IPC-17 zeolite with an intersecting 12 × 8 × 8-ring pore system. The structure of the as-prepared IPC-17 zeolite was verified by a combination of microscopic and diffraction techniques, while the results on the epichlorohydrin ring-opening with alcohols of variable sizes proved the molecular sieving ability of IPC-17 with potential application in heterogeneous catalysis. The proposed synthesis strategy may facilitate the discovery of zeolite materials that are difficult or yet impossible to achieve using a traditional bottom-up synthesis approach. [ABSTRACT FROM AUTHOR]

Published
2024
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5. Surface-Functionalized Metal–Organic Frameworks for Binding Coronavirus Proteins

Author

Desai, Aamod V., primary, Vornholt, Simon M., additional, Major, Louise L., additional, Ettlinger, Romy, additional, Jansen, Christian, additional, Rainer, Daniel N., additional, de Rome, Richard, additional, So, Venus, additional, Wheatley, Paul S., additional, Edward, Ailsa K., additional, Elliott, Caroline G., additional, Pramanik, Atin, additional, Karmakar, Avishek, additional, Armstrong, A. Robert, additional, Janiak, Christoph, additional, Smith, Terry K., additional, and Morris, Russell E., additional

Published
2023
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10. How Reproducible are Surface Areas Calculated from the BET Equation? (Adv. Mater. 27/2022)

Author

Osterrieth, Johannes W. M., primary, Rampersad, James, additional, Madden, David, additional, Rampal, Nakul, additional, Skoric, Luka, additional, Connolly, Bethany, additional, Allendorf, Mark D., additional, Stavila, Vitalie, additional, Snider, Jonathan L., additional, Ameloot, Rob, additional, Marreiros, João, additional, Ania, Conchi, additional, Azevedo, Diana, additional, Vilarrasa‐Garcia, Enrique, additional, Santos, Bianca F., additional, Bu, Xian‐He, additional, Chang, Ze, additional, Bunzen, Hana, additional, Champness, Neil R., additional, Griffin, Sarah L., additional, Chen, Banglin, additional, Lin, Rui‐Biao, additional, Coasne, Benoit, additional, Cohen, Seth, additional, Moreton, Jessica C., additional, Colón, Yamil J., additional, Chen, Linjiang, additional, Clowes, Rob, additional, Coudert, François‐Xavier, additional, Cui, Yong, additional, Hou, Bang, additional, D'Alessandro, Deanna M., additional, Doheny, Patrick W., additional, Dincă, Mircea, additional, Sun, Chenyue, additional, Doonan, Christian, additional, Huxley, Michael Thomas, additional, Evans, Jack D., additional, Falcaro, Paolo, additional, Ricco, Raffaele, additional, Farha, Omar, additional, Idrees, Karam B., additional, Islamoglu, Timur, additional, Feng, Pingyun, additional, Yang, Huajun, additional, Forgan, Ross S., additional, Bara, Dominic, additional, Furukawa, Shuhei, additional, Sanchez, Eli, additional, Gascon, Jorge, additional, Telalović, Selvedin, additional, Ghosh, Sujit K., additional, Mukherjee, Soumya, additional, Hill, Matthew R., additional, Sadiq, Muhammed Munir, additional, Horcajada, Patricia, additional, Salcedo‐Abraira, Pablo, additional, Kaneko, Katsumi, additional, Kukobat, Radovan, additional, Kenvin, Jeff, additional, Keskin, Seda, additional, Kitagawa, Susumu, additional, Otake, Ken‐ichi, additional, Lively, Ryan P., additional, DeWitt, Stephen J. A., additional, Llewellyn, Phillip, additional, Lotsch, Bettina V., additional, Emmerling, Sebastian T., additional, Pütz, Alexander M., additional, Martí‐Gastaldo, Carlos, additional, Padial, Natalia M., additional, García‐Martínez, Javier, additional, Linares, Noemi, additional, Maspoch, Daniel, additional, Suárez del Pino, Jose A., additional, Moghadam, Peyman, additional, Oktavian, Rama, additional, Morris, Russel E., additional, Wheatley, Paul S., additional, Navarro, Jorge, additional, Petit, Camille, additional, Danaci, David, additional, Rosseinsky, Matthew J., additional, Katsoulidis, Alexandros P., additional, Schröder, Martin, additional, Han, Xue, additional, Yang, Sihai, additional, Serre, Christian, additional, Mouchaham, Georges, additional, Sholl, David S., additional, Thyagarajan, Raghuram, additional, Siderius, Daniel, additional, Snurr, Randall Q., additional, Goncalves, Rebecca B., additional, Telfer, Shane, additional, Lee, Seok J., additional, Ting, Valeska P., additional, Rowlandson, Jemma L., additional, Uemura, Takashi, additional, Iiyuka, Tomoya, additional, van der Veen, Monique A., additional, Rega, Davide, additional, Van Speybroeck, Veronique, additional, Rogge, Sven M. J., additional, Lamaire, Aran, additional, Walton, Krista S., additional, Bingel, Lukas W., additional, Wuttke, Stefan, additional, Andreo, Jacopo, additional, Yaghi, Omar, additional, Zhang, Bing, additional, Yavuz, Cafer T., additional, Nguyen, Thien S., additional, Zamora, Felix, additional, Montoro, Carmen, additional, Zhou, Hongcai, additional, Kirchon, Angelo, additional, and Fairen‐Jimenez, David, additional

Published
2022
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11. How Reproducible are Surface Areas Calculated from the BET Equation?

Author

Universidad de Alicante. Departamento de Química Inorgánica, Osterrieth, Johannes W. M., Rampersad, James, Madden, David G., Rampal, Nakul, Skoric, Luka, Connolly, Bethany M., Allendorf, Mark D., Stavila, Vitalie, Snider, Jonathan L., Ameloot, Rob, Marreiros, João, Coudert, François-Xavier, Cui, Yong, Hou, Bang, D'Alessandro, Deanna M., Doheny, Patrick W., Dincă, Mircea, Sun, Chenyue, Doonan, Christian, Huxley, Michael Thomas, Evans, Jack D., Bara, Dominic, Falcaro, Paolo, Ricco, Raffaele, Farha, Omar, Idrees, Karam B., Islamoglu, Timur, Feng, Pingyun, Yang, Huajun, Forgan, Ross S., Furukawa, Shuhei, Sanchez, Eli, Gascon, Jorge, Telalović, Selvedin, Ghosh, Sujit K., Mukherjee, Soumya, Hill, Matthew R., Sadiq, Muhammed Munir, Horcajada, Patricia, DeWitt, Stephen J. A., Salcedo-Abraira, Pablo, Kaneko, Katsumi, Kukobat, Radovan, Kenvin, Jeff, Keskin, Seda, Kitagawa, Susumu, Otake, Ken-ichi, Lively, Ryan P., Llewellyn, Phillip L., Lotsch, Bettina V., Emmerling, Sebastian T., Pütz, Alexander M., Martí-Gastaldo, Carlos, Padial, Natalia M., Garcia-Martinez, Javier, Linares, Noemi, Maspoch, Daniel, Rosseinsky, Matthew J., Suárez del Pino, Jose A., Moghadam, Peyman Z., Oktavian, Rama, Morris, Russel E., Wheatley, Paul S., Navarro, Jorge, Petit, Camille, Danaci, David, Katsoulidis, Alexandros P., Schröder, Martin, Han, Xue, Yang, Sihai, Serre, Christian, Mouchaham, Georges, Sholl, David S., Thyagarajan, Raghuram, Siderius, Daniel, van der Veen, Monique A., Snurr, Randall Q., Goncalves, Rebecca B., Telfer, Shane, Lee, Seok J., Ting, Valeska P., Rowlandson, Jemma L., Uemura, Takashi, Iiyuka, Tomoya, Rega, Davide, Van Speybroeck, Veronique, Rogge, Sven M.J., Lamaire, Aran, Walton, Krista S., Bingel, Lukas W., Wuttke, Stefan, Andreo, Jacopo, Yaghi, Omar, Ania, Conchi O., Zhang, Bing, Yavuz, Cafer T., Nguyen, Thien S., Zamora, Félix, Montoro, Carmen, Zhou, Hongcai, Kirchon, Angelo, Fairen-Jimenez, David, Azevedo, Diana, Vilarrasa-García, Enrique, Santos, Bianca F., Bu, Xian-He, Chang, Ze, Bunzen, Hana, Champness, Neil R., Griffin, Sarah L., Chen, Banglin, Lin, Rui-Biao, Coasne, Benoit, Cohen, Seth, Moreton, Jessica C., Colón, Yamil J., Chen, Linjiang, Clowes, Rob, Universidad de Alicante. Departamento de Química Inorgánica, Osterrieth, Johannes W. M., Rampersad, James, Madden, David G., Rampal, Nakul, Skoric, Luka, Connolly, Bethany M., Allendorf, Mark D., Stavila, Vitalie, Snider, Jonathan L., Ameloot, Rob, Marreiros, João, Coudert, François-Xavier, Cui, Yong, Hou, Bang, D'Alessandro, Deanna M., Doheny, Patrick W., Dincă, Mircea, Sun, Chenyue, Doonan, Christian, Huxley, Michael Thomas, Evans, Jack D., Bara, Dominic, Falcaro, Paolo, Ricco, Raffaele, Farha, Omar, Idrees, Karam B., Islamoglu, Timur, Feng, Pingyun, Yang, Huajun, Forgan, Ross S., Furukawa, Shuhei, Sanchez, Eli, Gascon, Jorge, Telalović, Selvedin, Ghosh, Sujit K., Mukherjee, Soumya, Hill, Matthew R., Sadiq, Muhammed Munir, Horcajada, Patricia, DeWitt, Stephen J. A., Salcedo-Abraira, Pablo, Kaneko, Katsumi, Kukobat, Radovan, Kenvin, Jeff, Keskin, Seda, Kitagawa, Susumu, Otake, Ken-ichi, Lively, Ryan P., Llewellyn, Phillip L., Lotsch, Bettina V., Emmerling, Sebastian T., Pütz, Alexander M., Martí-Gastaldo, Carlos, Padial, Natalia M., Garcia-Martinez, Javier, Linares, Noemi, Maspoch, Daniel, Rosseinsky, Matthew J., Suárez del Pino, Jose A., Moghadam, Peyman Z., Oktavian, Rama, Morris, Russel E., Wheatley, Paul S., Navarro, Jorge, Petit, Camille, Danaci, David, Katsoulidis, Alexandros P., Schröder, Martin, Han, Xue, Yang, Sihai, Serre, Christian, Mouchaham, Georges, Sholl, David S., Thyagarajan, Raghuram, Siderius, Daniel, van der Veen, Monique A., Snurr, Randall Q., Goncalves, Rebecca B., Telfer, Shane, Lee, Seok J., Ting, Valeska P., Rowlandson, Jemma L., Uemura, Takashi, Iiyuka, Tomoya, Rega, Davide, Van Speybroeck, Veronique, Rogge, Sven M.J., Lamaire, Aran, Walton, Krista S., Bingel, Lukas W., Wuttke, Stefan, Andreo, Jacopo, Yaghi, Omar, Ania, Conchi O., Zhang, Bing, Yavuz, Cafer T., Nguyen, Thien S., Zamora, Félix, Montoro, Carmen, Zhou, Hongcai, Kirchon, Angelo, Fairen-Jimenez, David, Azevedo, Diana, Vilarrasa-García, Enrique, Santos, Bianca F., Bu, Xian-He, Chang, Ze, Bunzen, Hana, Champness, Neil R., Griffin, Sarah L., Chen, Banglin, Lin, Rui-Biao, Coasne, Benoit, Cohen, Seth, Moreton, Jessica C., Colón, Yamil J., Chen, Linjiang, and Clowes, Rob

Abstract

Porosity and surface area analysis play a prominent role in modern materials science. At the heart of this sits the Brunauer–Emmett–Teller (BET) theory, which has been a remarkably successful contribution to the field of materials science. The BET method was developed in the 1930s for open surfaces but is now the most widely used metric for the estimation of surface areas of micro- and mesoporous materials. Despite its widespread use, the calculation of BET surface areas causes a spread in reported areas, resulting in reproducibility problems in both academia and industry. To prove this, for this analysis, 18 already-measured raw adsorption isotherms were provided to sixty-one labs, who were asked to calculate the corresponding BET areas. This round-robin exercise resulted in a wide range of values. Here, the reproducibility of BET area determination from identical isotherms is demonstrated to be a largely ignored issue, raising critical concerns over the reliability of reported BET areas. To solve this major issue, a new computational approach to accurately and systematically determine the BET area of nanoporous materials is developed. The software, called “BET surface identification” (BETSI), expands on the well-known Rouquerol criteria and makes an unambiguous BET area assignment possible.

Published
2022

12. How Reproducible are Surface Areas Calculated from the BET Equation?

Author

European Commission, European Research Council, University of Cambridge, Trinity College Cambridge, National Nuclear Security Administration (US), Department of Energy (US), Alexander von Humboldt Foundation, Center for Advancing Electronics Dresden, Science and Engineering Research Board (India), Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), Universidad de Alicante, Research Foundation - Flanders, Engineering and Physical Sciences Research Council (UK), National Research Foundation of Korea, Indonesia Endowment Fund for Education, National Institute of Standards and Technology (US), Osterrieth, Johannes W. M., Rampersad, James, Madden, David, Rampal, Nakul, Skoric, Luka, Connolly, Bethany, Allendorf, Mark D., Stavila, Vitalie, Snider, Jonathan L., Ameloot, Rob, Marreiros, João, Bara, Dominic, Furukawa, Shuhei, Sánchez, Eli, Gascón, Jorge, Telalović, Selvedin, Ghosh, Sujit K., Mukherjee, Soumya, Hill, Matthew R., Sadiq, Muhammed Munir, Horcajada, Patricia, DeWitt, Stephen J. A., Salcedo Abraira, Pablo, Kaneko, Katsumi, Kukobat, Radovan, Kenvin, Jeff, Keskin, Seda, Kitagawa, Susumu, Otake, Ken-Ichi, Lively, Ryan P., Llewellyn, Phillip, Lotsch, Bettina V., Emmerling, Sebastian T., Pütz, Alexander M., Martí-Gastaldo, Carlos, Padial, Natalia M., García-Martínez, Javier, Linares, Noemí, Maspoch, Daniel, Rosseinsky, Matthew J., Suárez, José Antonio, Moghadam, Peyman, Oktavian, Rama, Morris, Russell E., Wheatley, Paul S., Navarro, Jorge, Petit, Camille, Danaci, David, Katsoulidis, Alexandros P., Schröder, Martin, Han, Xue, Yang, Sihai, Serre, Christian, Mouchaham, Georges, Sholl, David S., Thyagarajan, Raghuram, Siderius, Daniel, Veen, Monique A. van der, Snurr, Randall Q., Goncalves, Rebecca B., Telfer, Shane, Lee, Seok J., Ting, Valeska P., Rowlandson, Jemma L., Uemura, Takashi, Iiyuka, Tomoya, Rega, Davide, Speybroeck, Veronique van, Rogge, Sven M. J., Lamaire, Aran, Walton, Krista S., Bingel, Lukas W., Wuttke, Stefan, Andreo, Jacopo, Yaghi, Omar, Ania, Conchi O., Zhang, Bing, Yavuz, Cafer T., Nguyen, Thien S., Zamora, Félix, Montoro, Carmen, Zhou, Hongcai, Kirchon, Angelo, Fairen-Jiménez, David, Azevedo, Diana, Vilarrasa-García, E., Santos, Bianca S., Bu, Xian-He, Chang, Ze, Bunzen, Hana, Champness, Neil R., Griffin, Sarah L., Chen, Banglin, Lin, Rui-Biao, Coasne, Benoit, Cohen, Seth, Moreton, Jessica C., Colón, Yamil J., Chen, Linjiang, Clowes, Rob, Coudert, François Xavier, Cui, Yong, Hou, Bang, D'Alessandro, Deanna M., Doheny, Patrick W., Dincă, Mircea, Sun, Chenyue, Doonan, Christian J., Huxley, Michael Thomas, Evans, Jack D., Falcaro, Paolo, Ricco, Raffaele, Farha, Omar, Idrees, Karam B., Islamoglu, Timur, Feng, Pingyun, Chang, Huajun, Forgan, Ross S., European Commission, European Research Council, University of Cambridge, Trinity College Cambridge, National Nuclear Security Administration (US), Department of Energy (US), Alexander von Humboldt Foundation, Center for Advancing Electronics Dresden, Science and Engineering Research Board (India), Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), Universidad de Alicante, Research Foundation - Flanders, Engineering and Physical Sciences Research Council (UK), National Research Foundation of Korea, Indonesia Endowment Fund for Education, National Institute of Standards and Technology (US), Osterrieth, Johannes W. M., Rampersad, James, Madden, David, Rampal, Nakul, Skoric, Luka, Connolly, Bethany, Allendorf, Mark D., Stavila, Vitalie, Snider, Jonathan L., Ameloot, Rob, Marreiros, João, Bara, Dominic, Furukawa, Shuhei, Sánchez, Eli, Gascón, Jorge, Telalović, Selvedin, Ghosh, Sujit K., Mukherjee, Soumya, Hill, Matthew R., Sadiq, Muhammed Munir, Horcajada, Patricia, DeWitt, Stephen J. A., Salcedo Abraira, Pablo, Kaneko, Katsumi, Kukobat, Radovan, Kenvin, Jeff, Keskin, Seda, Kitagawa, Susumu, Otake, Ken-Ichi, Lively, Ryan P., Llewellyn, Phillip, Lotsch, Bettina V., Emmerling, Sebastian T., Pütz, Alexander M., Martí-Gastaldo, Carlos, Padial, Natalia M., García-Martínez, Javier, Linares, Noemí, Maspoch, Daniel, Rosseinsky, Matthew J., Suárez, José Antonio, Moghadam, Peyman, Oktavian, Rama, Morris, Russell E., Wheatley, Paul S., Navarro, Jorge, Petit, Camille, Danaci, David, Katsoulidis, Alexandros P., Schröder, Martin, Han, Xue, Yang, Sihai, Serre, Christian, Mouchaham, Georges, Sholl, David S., Thyagarajan, Raghuram, Siderius, Daniel, Veen, Monique A. van der, Snurr, Randall Q., Goncalves, Rebecca B., Telfer, Shane, Lee, Seok J., Ting, Valeska P., Rowlandson, Jemma L., Uemura, Takashi, Iiyuka, Tomoya, Rega, Davide, Speybroeck, Veronique van, Rogge, Sven M. J., Lamaire, Aran, Walton, Krista S., Bingel, Lukas W., Wuttke, Stefan, Andreo, Jacopo, Yaghi, Omar, Ania, Conchi O., Zhang, Bing, Yavuz, Cafer T., Nguyen, Thien S., Zamora, Félix, Montoro, Carmen, Zhou, Hongcai, Kirchon, Angelo, Fairen-Jiménez, David, Azevedo, Diana, Vilarrasa-García, E., Santos, Bianca S., Bu, Xian-He, Chang, Ze, Bunzen, Hana, Champness, Neil R., Griffin, Sarah L., Chen, Banglin, Lin, Rui-Biao, Coasne, Benoit, Cohen, Seth, Moreton, Jessica C., Colón, Yamil J., Chen, Linjiang, Clowes, Rob, Coudert, François Xavier, Cui, Yong, Hou, Bang, D'Alessandro, Deanna M., Doheny, Patrick W., Dincă, Mircea, Sun, Chenyue, Doonan, Christian J., Huxley, Michael Thomas, Evans, Jack D., Falcaro, Paolo, Ricco, Raffaele, Farha, Omar, Idrees, Karam B., Islamoglu, Timur, Feng, Pingyun, Chang, Huajun, and Forgan, Ross S.

Abstract

Porosity and surface area analysis play a prominent role in modern materials science. At the heart of this sits the Brunauer–Emmett–Teller (BET) theory, which has been a remarkably successful contribution to the field of materials science. The BET method was developed in the 1930s for open surfaces but is now the most widely used metric for the estimation of surface areas of micro- and mesoporous materials. Despite its widespread use, the calculation of BET surface areas causes a spread in reported areas, resulting in reproducibility problems in both academia and industry. To prove this, for this analysis, 18 already-measured raw adsorption isotherms were provided to sixty-one labs, who were asked to calculate the corresponding BET areas. This round-robin exercise resulted in a wide range of values. Here, the reproducibility of BET area determination from identical isotherms is demonstrated to be a largely ignored issue, raising critical concerns over the reliability of reported BET areas. To solve this major issue, a new computational approach to accurately and systematically determine the BET area of nanoporous materials is developed. The software, called “BET surface identification” (BETSI), expands on the well-known Rouquerol criteria and makes an unambiguous BET area assignment possible.

Published
2022

17. Controlled Synthesis of Large Single Crystals of Metal‐Organic Framework CPO‐27‐Ni Prepared by a Modulation Approach: In situ Single‐Crystal X‐ray Diffraction Studies

Author

Vornholt, Simon M., primary, Elliott, Caroline G., additional, Rice, Cameron M., additional, Russell, Samantha E., additional, Kerr, Peter J., additional, Rainer, Daniel N., additional, Mazur, Michal, additional, Warren, Mark R., additional, Wheatley, Paul S., additional, and Morris, Russell E., additional

Published
2021
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20. NO-releasing zeolites and their antithrombotic properties

Author

Wheatley, Paul S., Butler, Anthony R., Crane, Michael S., Fox, Sarah, Bo Xiao, Rossi, Adriano G., Megson, Ian L., and Morris, Russell E.

Subjects
Chemistry
Abstract

The synthesis of metal-containing zeolites that store NO and release it in biologically relevant amounts on contact with water is described. The rate of NO release can be modified by altering the chemical composition of the material for a range of different medical and biological applications in which exogenous NO is beneficial.

Published
2006

21. Ionic liquids and eutectic mixtures as solvent and template in synthesis of zeolite analogues

Author

Cooper, Emily R., Andrews, Christopher D., Wheatley, Paul S., Webb, Paul B., Wormald, Philip, and Morris, Russell E.

Subjects
Environmental issues, Science and technology, Zoology and wildlife conservation
Abstract

Author(s): Emily R. Cooper; Christopher D. Andrews; Paul S. Wheatley; Paul B. Webb; Philip Wormald; Russell E. Morris (corresponding author) The challenges associated with synthesizing porous materials [1] mean that [...]

Published
2004
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22. The location and ordering of fluoride ions in pure silica zeolites with framework types IFR and STF; Implications for th emechanism of zeolite synthesis in fluoride media

Author

Villaescusa, Luis A., Wheatley, Paul S., Bull, Ivor, Lightfoot, Philip, and Morris, Russell E.

Subjects
Fluorides -- Research, Zeolites -- Research, Chemistry
Abstract

Research developing a mechanism for the occurrence of fluoride ordering processes is presented. Particular attention is given to ions of fluoride in silica zeolites in STF and IFR types of frameworks, as well as to synthesis of zeolite in fluoride.

Published
2001

24. Synthesis, Isotopic Enrichment, and Solid-State NMR Characterization of Zeolites Derived from the Assembly, Disassembly, Organization, Reassembly Process

Author

Bignami, Giulia P. M., Dawson, Daniel M., Seymour, Valerie R., Wheatley, Paul S., Morris, Russell E., Ashbrook, Sharon E., EPSRC, European Research Council, The Leverhulme Trust, The Royal Society, University of St Andrews. School of Chemistry, University of St Andrews. EaSTCHEM, and University of St Andrews. Centre of Magnetic Resonance

Subjects
DAS, QD, QD Chemistry, BDC, R2C, Article
Abstract

We would like to thank the ERC (EU FP7 Consolidator Grant 614290 “EXONMR”), the Leverhulme Trust (IN-2012-094), and EPSRC (EP/K025112/1, EP/L014475/1, and EP/M506631/1 (for GPMB)). S.E.A. would like to thank the Royal Society and the Wolfson Foundation for a merit award. The research data (and/or materials) supporting this publication can be accessed at DOI: 10.17630/d66d1146-5892-4f14-8e41-dfc075a8cd91. The great utility and importance of zeolites in fields as diverse as industrial catalysis and medicine has driven considerable interest in the ability to target new framework types with novel properties and applications. The recently introduced and unconventional assembly, disassembly, organization, reassembly (ADOR) method represents one exciting new approach to obtain solids with targeted structures by selectively disassembling preprepared hydrolytically unstable frameworks and then reassembling the resulting products to form materials with new topologies. However, the hydrolytic mechanisms underlying such a powerful synthetic method are not understood in detail, requiring further investigation of the kinetic behavior and the outcome of reactions under differing conditions. In this work, we report the optimized ADOR synthesis, and subsequent solid-state characterization, of 17O- and doubly 17O- and 29Si-enriched UTL-derived zeolites, by synthesis of 29Si-enriched starting Ge-UTL frameworks and incorporation of 17O from 17O-enriched water during hydrolysis. 17O and 29Si NMR experiments are able to demonstrate that the hydrolysis and rearrangement process occurs over a much longer time scale than seen by diffraction. The observation of unexpectedly high levels of 17O in the bulk zeolitic layers, rather than being confined only to the interlayer spacing, reveals a much more extensive hydrolytic rearrangement than previously thought. This work sheds new light on the role played by water in the ADOR process and provides insight into the detailed mechanism of the structural changes involved. Publisher PDF

Published
2017

31. Ionic Liquid assisted Synthesis of Zeolite-TON

Author

Tian, Yuyang, McPherson, Matthew J, Wheatley, Paul S, and Morris, Russell E

Subjects
Synthetic methods, Solid-phase synthesis, Zeolites, Articles, Ionic liquids, Green chemistry
Abstract

An ionic liquid assisted strategy for the synthesis of zeolitic material is reported. This strategy is a solid state synthetic method and the ionic liquid is employed as structure directing agent. A TON-type zeolite, which contains one-dimensional 10-member-ring, is successfully synthesized with the assistance of the ionic liquid, 1-ethyl-3-methylimidazolium bromide. This finding improves our understanding about the challenge of ionothermally synthesizing siliceous and aluminosilicate zeolites.

Published
2014

35. Early stage reversed crystal growth of zeolite A and its phase transformation to sodalite

Author

Greer, Heather, Wheatley, Paul S., Ashbrook, Sharon E., Morris, Russell E., and Wuzong Zhou

Subjects
Phase transformations (Statistical physics) -- Analysis, Sodalite -- Chemical properties, Sodalite -- Thermal properties, Zeolites -- Structure, Zeolites -- Chemical properties, Chemistry
Abstract

Several microstructural studies are conducted to explain the mechanisms involved in the early stage crystal growth of zeolite A in the hydrothermal synthetic conditions. The processes involved in the phase transformation of the crystal to sodalite are also discussed.

Published
2009

36. Exceptional behavior over the whole adsorption-storage-delivery cycle for NO in porous metal organic frameworks

Author

McKinlay, Alistair C., Bo Xiao, Wragg, David S., Wheatley, Paul S., Megson, Ian L., and Morris, Russell E.

Subjects
Adsorption -- Analysis, Nitric oxide -- Chemical properties, Organometallic compounds -- Chemical properties, Chemistry
Abstract

The performance of two porous metal organic frameworks (MOFs), [[M.sub.2]([C.sub.8][H.sub.2][O.sub6])[([H.sub.2]O).sub.2]*8[H.sub.2]O (M = Co, Ni) for the adsorption, storage, and water-triggered delivery of the biologically important gas nitric oxide is reported. The results from the myography experiments confirm the activity of the NO storage materials which showed the relaxation of porcine arterial tissue caused by the NO-releasing MOFs.

Published
2008

37. High-capacity hydrogen and nitric oxide adsorption and storage in a metal-organic framework

Author

Bo Xiao, Wheatley, Paul S., Xuebo Zhao, Fletcher, Ashleigh J., Regli, L., Thomas, K. Mark, Morris, Russell E., Fox, Sarah, Rossi, Adriano G., Megson, Ian L., and Bordiga, S.

Subjects
Nitric oxide -- Storage, Nitric oxide -- Chemical properties, Copper compounds -- Chemical properties, Copper compounds -- Spectra, Gases -- Absorption and adsorption, Gases -- Research, Chemistry
Abstract

High-capacity hydrogen and nitric oxide adsorption and storage in a metal-organic framework, HKUST-1, was studied. It was shown that HKUST-1 adsorbs more NO than any other porous solid and the amount of NO recovered on exposure of the resulting complex to water is enough to fully inhibit platelet aggregation.

Published
2007

39. Pressure-induced chemistry for the 2D to 3D transformation of zeolites

Author

Mazur, Michal, primary, Arévalo-López, Angel M., additional, Wheatley, Paul S., additional, Bignami, Giulia P. M., additional, Ashbrook, Sharon E., additional, Morales-García, Ángel, additional, Nachtigall, Petr, additional, Attfield, J. Paul, additional, Čejka, Jiři, additional, and Morris, Russell E., additional

Published
2018
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41. Assembly–Disassembly–Organization–Reassembly Synthesis of Zeolites Based on cfi-Type Layers

Author

Firth, Daniel S., primary, Morris, Samuel A., additional, Wheatley, Paul S., additional, Russell, Samantha E., additional, Slawin, Alexandra M. Z., additional, Dawson, Daniel M., additional, Mayoral, Alvaro, additional, Opanasenko, Maksym, additional, Položij, Miroslav, additional, Čejka, Jiři, additional, Nachtigall, Petr, additional, and Morris, Russell E., additional

Published
2017
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43. Synthesis and structural characterisation of the copper MOF: STAM-NMe2.

Author

McHugh, Lauren N., Olivera Perez, Leonardo J., Wheatley, Paul S., Cordes, David B., Slawin, Alexandra M. Z., and Morris, Russell E.

Subjects
X-ray powder diffraction, SINGLE crystals, THERMAL stability, X-ray diffraction, POROSITY
Abstract

Here we demonstrate the synthesis and structural characterisation of a novel copper MOF: STAM-NMe2, developed using the linker 5-dimethylamino isophthalic acid. The material is a member of the STAM series of MOFs, with a Kagome lattice structure and contains two types of pore system. The structure was investigated using single crystal X-ray diffraction, variable temperature powder X-ray diffraction was used to determine the thermal stability of the MOF, and nitrogen BET adsorption was employed to determine the porosity of the material. [ABSTRACT FROM AUTHOR]

Published
2019
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44. A multinuclear NMR study of six forms of AlPO-34:structure and motional broadening

Author

Dawson, Daniel M., Griffin, John Matthew, Seymour, Valerie R., Wheatley, Paul S., Amri, Mahrez, Kurkiewicz, Teresa, Guillou, Nathalie, Wimperis, Stephen, Walton, Richard I., Ashbrook, Sharon E., Dawson, Daniel M., Griffin, John Matthew, Seymour, Valerie R., Wheatley, Paul S., Amri, Mahrez, Kurkiewicz, Teresa, Guillou, Nathalie, Wimperis, Stephen, Walton, Richard I., and Ashbrook, Sharon E.

Abstract

We report a study of the CHA-type aluminophosphate AlPO-34, prepared with six different structure-directing agents (SDAs): piperidine (pip), morpholine (mor), pyridine (pyr), 1,4,8,11-tetraazacyclotetradecane (cyclam), 1,3 dimethylimidazolium (dmim) chloride and 1-ethyl-3-methylimidazolium (emim) bromide. Using a combination of solid-state NMR spectroscopy, periodic density functional theory (DFT) calculations and synchrotron X-ray diffraction, we show that, even in crystallographically well-ordered materials such as AlPO-34 with dmim as the SDA, local disorder may be present. For such disordered structures, where it is challenging to use DFT to assign NMR spectra, we show that the 31P isotropic chemical shift can be predicted accurately using the mean P-O bond length and P-O-Al bond angle, in an extension of previous work. Variable-temperature 27Al NMR reveals the presence of microsecond-timescale dynamics in all forms of AlPO- 34, with two different motional regimes observed, depending on whether structural H2O is also present. H2O is detected in AlPO-34 prepared with mor as the SDA, although this material was previously reported as anhydrous, suggesting that this form of AlPO-34 may be hygroscopic despite the presence of the SDAs within the pores.

Published
2017

45. A multinuclear NMR study of six forms of AlPO-34 : structure and motional broadening

Author

Dawson, Daniel M., Griffin, John Matthew, Seymour, Valerie R., Wheatley, Paul S., Amri, Mahrez, Kurkiewicz, Teresa, Guillou, Nathalie, Wimperis, Stephen, Walton, Richard I., Ashbrook, Sharon E., Dawson, Daniel M., Griffin, John Matthew, Seymour, Valerie R., Wheatley, Paul S., Amri, Mahrez, Kurkiewicz, Teresa, Guillou, Nathalie, Wimperis, Stephen, Walton, Richard I., and Ashbrook, Sharon E.

Abstract

We report a study of the CHA-type aluminophosphate AlPO-34, prepared with six different structure-directing agents (SDAs): piperidine (pip), morpholine (mor), pyridine (pyr), 1,4,8,11-tetraazacyclotetradecane (cyclam), 1,3 dimethylimidazolium (dmim) chloride and 1-ethyl-3-methylimidazolium (emim) bromide. Using a combination of solid-state NMR spectroscopy, periodic density functional theory (DFT) calculations and synchrotron X-ray diffraction, we show that, even in crystallographically well-ordered materials such as AlPO-34 with dmim as the SDA, local disorder may be present. For such disordered structures, where it is challenging to use DFT to assign NMR spectra, we show that the 31P isotropic chemical shift can be predicted accurately using the mean P-O bond length and P-O-Al bond angle, in an extension of previous work. Variable-temperature 27Al NMR reveals the presence of microsecond-timescale dynamics in all forms of AlPO- 34, with two different motional regimes observed, depending on whether structural H2O is also present. H2O is detected in AlPO-34 prepared with mor as the SDA, although this material was previously reported as anhydrous, suggesting that this form of AlPO-34 may be hygroscopic despite the presence of the SDAs within the pores.

Published
2017

46. Assembly-disassembly-organization-reassembly synthesis of zeolites based on cfi-type layers

Author

Engineering and Physical Sciences Research Council (UK), Czech Science Foundation, Firth, Daniel S., Morris, Samuel A., Wheatley, Paul S., Russell, Samantha E., Slawin, Alexandra M. Z., Dawson, Daniel M., Mayoral, Álvaro, Opanasenko, Maksym, Položij, Miroslav, Čejka, Jiři, Nachtigall, Petr, Morris, Russell E., Engineering and Physical Sciences Research Council (UK), Czech Science Foundation, Firth, Daniel S., Morris, Samuel A., Wheatley, Paul S., Russell, Samantha E., Slawin, Alexandra M. Z., Dawson, Daniel M., Mayoral, Álvaro, Opanasenko, Maksym, Položij, Miroslav, Čejka, Jiři, Nachtigall, Petr, and Morris, Russell E.

Abstract

The hydrothermal synthesis of a zeolite with properties suitable for use in the assembly–disassembly–organization–reassembly (ADOR) process was designed, and a zeolite called SAZ-1 was successfully prepared. This zeolite was then used as a parent in the ADOR process, and two new daughter zeolites, IPC-15 and IPC-16, were prepared. The X-ray powder diffraction patterns of the new zeolites match well with those predicted using computational methods. The three materials form an isoreticular series with decreasing pores size from 14-ring to 12-ring to 10-ring.

Published
2017

49. Monitoring the assembly–disassembly–organisation–reassembly process of germanosilicate UTL through in situ pair distribution function analysis.

Author

Henkelis, Susan E., Morris, Samuel A., Mazur, Michal, Wheatley, Paul S., McHugh, Lauren N., and Morris, Russell E.

Abstract

A study into the disassembly and organisation steps of the ADOR process has been undertaken through in situ Pair Distribution Function (PDF) analysis. Three aqueous systems (water, 6 M HCl and 12 M HCl) were introduced to a parent zeolite germanosilicate UTL in a cell. Hydrolysis could be clearly seen when UTL was exposed to water over a period of 8 h, forming the disorder layered material, IPC-1P. In hydrochloric acid, the hydrolysis step is too quick to observe and a Ge–Cl containing species could be seen. In 6 M HCl, the rearrangement of the interlayer region began after an induction period of 8 h, with the process still occurring after 15 h. In 12 M HCl, the rearrangement appears to have come to an end after only 6 h. [ABSTRACT FROM AUTHOR]

Published
2018
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50. Synthetic and Crystallographic Investigation of the Layered Coordination Framework Copper-1,3-bis(4-carboxyphenyl)-5-ethoxybenzene

Author

McHugh, Lauren N., Cordes, David B., Wheatley, Paul S., Slawin, Alexandra M. Z., and Morris, Russell E.

Abstract

The reaction of 1,3-bis(4-carboxyphenyl)-5-ethoxybenzene and copper acetate monohydrate yields copper-1,3-bis(4-carboxyphenyl)-5-ethoxybenzene(DMF), and upon removal of coordinated DMF molecules, copper-1,3-bis(4-carboxyphenyl)-5-ethoxybenzene is attained. The compound does not form as a traditional three-dimensional metal–organic framework and instead produces a “layered coordination framework”, where the individual layers are separated by the ethyl chains on the linker. The synthesis and crystallographic characterization of the material are described.

Published
2020
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