David Keen: Publications

In situ studies of materials for high temperature CO 2 capture and storage

Faraday Discussions Royal Society of Chemistry (RSC) 192 (2016) 217-240

Authors:

Matthew T Dunstan, Serena A Maugeri, Wen Liu, Matthew G Tucker, Oluwadamilola O Taiwo, Belen Gonzalez, Phoebe K Allan, Michael W Gaultois, Paul R Shearing, David A Keen, Anthony E Phillips, Martin T Dove, Stuart A Scott, John S Dennis, Clare P Grey

Local structure of crystalline and amorphous materials using reverse Monte Carlo methods

Neutron News Taylor & Francis 27:3 (2016) 17-21

Authors:

Helen Playford, David Keen, Matthew Tucker

Emergence of Long-Range Order in BaTiO_{3} from Local Symmetry-Breaking Distortions.

Physical review letters 116:20 (2016) 207602-207602

Authors:

MS Senn, DA Keen, TCA Lucas, JA Hriljac, AL Goodwin

Abstract:

By using a symmetry motivated basis to evaluate local distortions against pair distribution function data, we show without prior bias, that the off-center Ti displacements in the archetypal ferroelectric BaTiO_{3} are zone centered and rhombohedral-like across its known ferroelectric and paraelectric phases. We construct a simple Monte Carlo model that captures our main experimental findings and demonstrate how the rich crystallographic phase diagram of BaTiO_{3} emerges from correlations of local symmetry-breaking distortions alone. Our results strongly support the order-disorder picture for these phase transitions, but can also be reconciled with the soft-mode theory of BaTiO_{3} that is supported by some spectroscopic techniques.

Long‐Range Electrostatics‐Induced Two‐Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site

Angewandte Chemie International Edition Wiley 55:16 (2016) 4924-4927

Authors:

Oksana Gerlits, Troy Wymore, Amit Das, Chen‐Hsiang Shen, Jerry M Parks, Jeremy C Smith, Kevin L Weiss, David A Keen, Matthew P Blakeley, John M Louis, Paul Langan, Irene T Weber, Andrey Kovalevsky

Melt-Quenched Glasses of Metal–Organic Frameworks

Journal of the American Chemical Society American Chemical Society (ACS) 138:10 (2016) 3484-3492

Authors:

Thomas D Bennett, Yuanzheng Yue, Peng Li, Ang Qiao, Haizheng Tao, Neville G Greaves, Tom Richards, Giulio I Lampronti, Simon AT Redfern, Frédéric Blanc, Omar K Farha, Joseph T Hupp, Anthony K Cheetham, David A Keen

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David Keen

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In situ studies of materials for high temperature CO 2 capture and storage

Authors:

Local structure of crystalline and amorphous materials using reverse Monte Carlo methods

Authors:

Emergence of Long-Range Order in BaTiO_{3} from Local Symmetry-Breaking Distortions.

Authors:

Abstract:

Long‐Range Electrostatics‐Induced Two‐Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site

Authors:

Melt-Quenched Glasses of Metal–Organic Frameworks

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David Keen

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In situ studies of materials for high temperature CO 2 capture and storage

Authors:

Local structure of crystalline and amorphous materials using reverse Monte Carlo methods

Authors:

Emergence of Long-Range Order in BaTiO_{3} from Local Symmetry-Breaking Distortions.

Authors:

Abstract:

Long‐Range Electrostatics‐Induced Two‐Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site

Authors:

Melt-Quenched Glasses of Metal–Organic Frameworks

Authors:

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