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Your search keyword '"Cheetham, Anthony"' showing total 41 results
Start Over Author "Cheetham, Anthony" Journal chemical communications
41 results on '"Cheetham, Anthony"'

4. Polymorphism in M(H2PO2)3 (M = V, Al, Ga) compounds with the perovskite-related ReO3 structure

Author

Evans, Hayden A., primary, Deng, Zeyu, additional, Collings, Ines E., additional, Wu, Yue, additional, Andrews, Jessica L., additional, Pilar, Kartik, additional, Tuffnell, Joshua M., additional, Wu, Guang, additional, Wang, John, additional, Dutton, Siân E., additional, Bristowe, Paul D., additional, Seshadri, Ram, additional, and Cheetham, Anthony K., additional

Published
2019
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8. Variable temperature and high-pressure crystal chemistry of perovskite formamidinium lead iodide: a single crystal X-ray diffraction and computational study

Author

Sun, Shijing, primary, Deng, Zeyu, additional, Wu, Yue, additional, Wei, Fengxia, additional, Halis Isikgor, Furkan, additional, Brivio, Federico, additional, Gaultois, Michael W., additional, Ouyang, Jianyong, additional, Bristowe, Paul D., additional, Cheetham, Anthony K., additional, and Kieslich, Gregor, additional

Published
2017
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9. Enhanced visible light absorption for lead-free double perovskite Cs2AgSbBr6.

Author

Wei, Fengxia, Deng, Zeyu, Sun, Shijing, Hartono, Noor Titan Putri, Seng, Hwee Leng, Buonassisi, Tonio, Bristowe, Paul D., and Cheetham, Anthony K.

Subjects
VISIBLE spectra, X-ray photoelectron spectroscopy, OPTICAL spectroscopy, DENSITY functional theory, OPTICAL properties
Abstract

In a search for Pb-free photovoltaic materials, a double perovskite Cs2AgSbBr6 with an indirect optical bandgap of 1.64 eV has been synthesized. Single crystal X-ray diffraction determined the space group as Fm3̅m with a = 11.1583(7) Å. The black, as-synthesised compound turned brown after heat treatment at 480 K while the symmetry and crystallinity were preserved. X-ray photoelectron spectroscopy indicated the existence of Sb5+ in the black crystals, suggesting that the dark colour arises from the Sb3+–Sb5+ charge transfer. Furthermore, UV visible spectroscopy and density functional theory calculations have been applied to probe the optical properties and electronic structure. [ABSTRACT FROM AUTHOR]

Published
2019
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10. Polymorphism in M(H2PO2)3 (M = V, Al, Ga) compounds with the perovskite-related ReO3 structure.

Author

Evans, Hayden A., Deng, Zeyu, Collings, Ines E., Wu, Yue, Andrews, Jessica L., Pilar, Kartik, Tuffnell, Joshua M., Wu, Guang, Wang, John, Dutton, Siân E., Bristowe, Paul D., Seshadri, Ram, and Cheetham, Anthony K.

Subjects
HYPOPHOSPHITES, PEROVSKITE, POLYMORPHISM (Crystallography), RHENIUM, PHASE transitions, CRYSTAL structure
Abstract

Trivalent metal hypophosphites with the general formula M(H2PO2)3 (M = V, Al, Ga) adopt the ReO3 structure, with each compound displaying two structural polymorphs. High-pressure synchrotron X-ray studies reveal a pressure-driven phase transition in Ga(H2PO2)3 that can be understood on the basis of ab initio thermodynamics. [ABSTRACT FROM AUTHOR]

Published
2019
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11. The capricious nature of iodine catenation in I2 excess, perovskite-derived hybrid Pt(iv) compounds.

Author

Evans, Hayden A., Andrews, Jessica L., Fabini, Douglas H., Preefer, Molleigh B., Wu, Guang, Cheetham, Anthony K., Wudl, Fred, and Seshadri, Ram

Subjects
IODINE, PLATINUM compounds, PEROVSKITE
Abstract

Perovskite-derived hybrid platinum iodides with the general formula A2PtIVI6 (A = formamidinium FA and guanidinium GUA) accommodate excess I2 to yield hydrogen-bond-stabilized compounds where the I2 forms catenates with I− anions on the PtI6 octahedra. [ABSTRACT FROM AUTHOR]

Published
2019
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21. Role of entropic effects in controlling the polymorphism in formate ABX3 metal–organic frameworks.

Author

Kieslich, Gregor, Kumagai, Shohei, Butler, Keith T., Okamura, Takuro, Hendon, Christopher H., Sun, Shijing, Yamashita, Masahiro, Walsh, Aron, and Cheetham, Anthony K.

Subjects
FORMATES, POLYMORPHISM (Crystallography), PEROVSKITE synthesis, METAL-organic frameworks, QUANTUM chemistry
Abstract

Polymorphism in formate-based dense metal–organic frameworks with the general formula ABX3 is predicted by quantum chemical calculations and confirmed experimentally. In particular [NH3NH2]Zn(HCOO)3 crystallizes in two different polymorphs, a perovskite-like framework and a chiral structure with hexagonal channels. A detailed thermodynamic analysis reveals that both structures are very close in free energy and that entropy driven effects are responsible for stabilizing the channel structure. [ABSTRACT FROM AUTHOR]

Published
2015
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22. Role of hydrogen-bonding and its interplay with octahedral tilting in CH3NH3PbI3.

Author

Lee, Jung-Hoon, Bristowe, Paul D., Cheetham, Anthony K., and Bristowe, Nicholas C.

Subjects
HYDROGEN bonding interactions, PEROVSKITE, METHYLAMMONIUM, OCTAHEDRAL molecules, NEUTRON diffraction
Abstract

First principles calculations on the hybrid perovskite CH3NH3PbI3 predict strong hydrogen-bonding which influences the structure and dynamics of the methylammonium cation and reveal its interaction with the tilting of the PbI6 octahedra. The calculated atomic coordinates are in excellent agreement with neutron diffraction results. [ABSTRACT FROM AUTHOR]

Published
2015
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27. Topotactic elimination of water across a C-C ligand bond in a dense 3-D metal-organic framework.

Author

Cheetham, Anthony K., Yeung, Hamish H.-M., Kosa, Monica, Major, Dan T., Griffin, John M., and Grey, Clare P.

Subjects
*METAL-organic frameworks, *TOPOCHEMICAL reactions, *WATER, *LIGAND binding (Biochemistry), *DEHYDRATION reactions, *LITHIUM, *X-ray diffraction, *METAL ions
Abstract

Upon heating, lithium L-malate undergoes topotactic dehydration to form a phase containing the unsaturated fumarate ligand, in which the original 3-D framework remains intact. Insight into this unusual transformation has been obtained by single crystal X-ray diffraction, MAS-NMR, in situ powder X-ray diffraction and DFT calculations. [ABSTRACT FROM AUTHOR]

Published
2014
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32. Structural diversity and chemical trends in hybrid inorganic–organic framework materials

Author

Cheetham, Anthony K., Rao, C. N. R., and Feller, Russell K.

Abstract

Hybrid framework compounds, including both metal–organic coordination polymers and systems that contain extended inorganic connectivity (extended inorganic hybrids), have recently developed into an important new class of solid-state materials. We examine the diversity of this complex class of materials, propose a simple but systematic classification, and explore the chemical and geometrical factors that influence their formation. We also discuss the growing evidence that many hybrid frameworks tend to form under thermodynamic rather than kinetic control when the synthesis is carried out under hydrothermal conditions. Finally, we explore the potential applications of hybrid frameworks in areas such as gas separations and storage, heterogeneous catalysis, and photoluminescence.

Published
2006
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33. Efficient white light emission by upconversion in Yb3+, Er3+ and Tm3+doped Y2BaZnO5Electronic supplementary information (ESI) available. See DOI: 10.1039/c1cc11427a.

Author

Etchart, Isabelle, Bérard, Mathieu, Laroche, Marine, Huignard, Arnaud, Hernández, Ignacio, Gillin, William P., Curry, Richard J., and Cheetham, Anthony K.

Subjects
LIGHT, LUMINESCENCE, YTTRIUM, ERBIUM, BARIUM compounds, PHOSPHORS
Abstract

We report efficient white upconversion luminescence in Yb3+, Er3+ and Tm3+doped monophasic and biphasic Y2BaZnO5phosphors under 977 nm near-infrared excitation and at low excitation power densities (down to ∼25 mW mm−2). [ABSTRACT FROM AUTHOR]

Published
2011
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35. The role of temperature in the synthesis of hybrid inorganic–organic materials: the example of cobalt succinatesElectronic supplementary information (ESI) available: Crystallographic description of CoH2O2C4H4O4, additional figures, single crystal X-ray refinement experimental details and tables. See http://www.rsc.org/suppdata/cc/b3/b311156c/

Author

Forster, Paul M., Burbank, Andrea R., Livage, Carine, Férey, Gérard, and Cheetham, Anthony K.

Abstract

Five different cobalt succinate materials synthesized from an identical starting mixture using temperature as the only independent variable show increasing condensation and density at higher synthesis temperatures.

Published
2004
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36. Synthesis and structure of an open-framework tin phosphate, [H<SUB>3</SUB>N(CH<SUB>2</SUB>)<SUB>4</SUB>NH<SUB>3</SUB>]<SUB>0.5 </SUB>2+[Sn<SUB>4</SUB>P<SUB>3</SUB>O<SUB>12</SUB>] −, containing intersecting channels

Author

Natarajan, Srinivasan and Cheetham, Anthony K.

Abstract

A novel open-framework tin phosphate made of strictly alternating SnO3 and PO4 moieties contains two intersecting channels; the protonated 1,4-diaminobutane molecules are situated in one of the channels and the lone pairs of SnII extend into the other, preventing access to the channel.

Published
1997

37. Synthesis and structure of an open-framework tin phosphate, [H3N(CH2)4NH3]0.5 2+[Sn4P3O12] -, containing intersecting channels

Author

Natarajan, Srinivasan and K. Cheetham, Anthony

Abstract

A novel open-framework tin phosphate made of strictly alternating SnO3 and PO4 moieties contains two intersecting channels; the protonated 1,4-diaminobutane molecules are situated in one of the channels and the lone pairs of SnII extend into the other, preventing access to the channel.

Published
1997
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38. The synthesis of the new zeolite, ERS-7, and the determination of its structure by simulated annealing and synchrotron X-ray powder diffraction

Author

J. Campbell, Branton, K. Cheetham, Anthony, Bellussi, Giuseppe, Carluccio, Luciano, Perego, Giovanni, Millini, Roberto, and E. Cox, David

Abstract

The new zeolite ERS-7 (EniRicerche-molecular-Sieve-7), which was synthesized within a narrow temperature and compositional range using N,N-dimethylpiperidinium as a structure directing agent, has a structure consisting of 17-sided (46546582) picnic-basket-shaped cages connected by 8-membered ring windows.

Published
1998
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40. Role of hydrogen-bonding and its interplay with octahedral tilting in CH3NH3PbI3.

Author

Lee, Jung-Hoon, Bristowe, Paul D., Cheetham, Anthony K., and Bristowe, Nicholas C.

Subjects
*HYDROGEN bonding interactions, *PEROVSKITE, *METHYLAMMONIUM, *OCTAHEDRAL molecules, *NEUTRON diffraction
Abstract

First principles calculations on the hybrid perovskite CH3NH3PbI3 predict strong hydrogen-bonding which influences the structure and dynamics of the methylammonium cation and reveal its interaction with the tilting of the PbI6 octahedra. The calculated atomic coordinates are in excellent agreement with neutron diffraction results. [ABSTRACT FROM AUTHOR]

Published
2015
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41. Enhanced visible light absorption for lead-free double perovskite Cs2AgSbBr6.

Author

Wei, Fengxia, Deng, Zeyu, Sun, Shijing, Hartono, Noor Titan Putri, Seng, Hwee Leng, Buonassisi, Tonio, Bristowe, Paul D., and Cheetham, Anthony K.

Subjects
*VISIBLE spectra, *X-ray photoelectron spectroscopy, *OPTICAL spectroscopy, *DENSITY functional theory, *OPTICAL properties
Abstract

In a search for Pb-free photovoltaic materials, a double perovskite Cs2AgSbBr6 with an indirect optical bandgap of 1.64 eV has been synthesized. Single crystal X-ray diffraction determined the space group as Fm3̅m with a = 11.1583(7) Å. The black, as-synthesised compound turned brown after heat treatment at 480 K while the symmetry and crystallinity were preserved. X-ray photoelectron spectroscopy indicated the existence of Sb5+ in the black crystals, suggesting that the dark colour arises from the Sb3+–Sb5+ charge transfer. Furthermore, UV visible spectroscopy and density functional theory calculations have been applied to probe the optical properties and electronic structure. [ABSTRACT FROM AUTHOR]

Published
2019
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