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Interplay of static and dynamic disorder in the mixed-metal chalcohalide Sn₂SbS₂I₃

Adair Nicolson, Joachim Breternitz, Seán R. Kavanagh, Yvonne Tomm, Kazuki Morita, Alexander G. Squires, Michael Tovar, Aron Walsh, Susan Schorr, David O. Scanlon

Version 2 posted 27 December 2022

414

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Inorganic Chemistry

Working Paper

Crystal Engineering of Bi2WO6 to Polar Aurivillius-Phase Oxyhalides

Kazuki Morita, Ji-Sang Park, Sunghyun Kim, Kenji Yasuoka, Aron Walsh

Version 1 posted 29 August 2019

476

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Inorganic Chemistry

Working Paper

Polymorph Exploration of Bismuth Stannate Using First-principles Phonon Mode Mapping

Warda Rahim, Jonathan Skelton, Christopher Savory, Ivana Radosavljevic Evans, John S. O. Evans, Aron Walsh, David Scanlon

Version 1 posted 19 May 2020

701

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Materials Science

Working Paper

Ligand Engineering in Cu(II) Paddle Wheel Metal-Organic Frameworks for Enhanced Electrical Conductivity

Matthias Golomb, Joaquín Calbo, Jessica K. Bristow, Aron Walsh

Version 1 posted 07 May 2020

534

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Theoretical and Computational Chemistry

Working Paper

Descriptors for Electron and Hole Charge Carriers in Metal Oxides

Daniel Davies, Christopher Savory, Jarvist Moore Frost, David Scanlon, Benjamin Morgan, Aron Walsh

Version 1 posted 03 December 2019

1,150

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Theoretical and Computational Chemistry

Working Paper

Assessment of Dynamic Structural Instabilities Across 24 Cubic Inorganic Halide Perovskites

Ruo Xi Yang, Jonathan Skelton, E Lora Da Silva, Jarvist Moore Frost, Aron Walsh

Version 1 posted 16 October 2019

995

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Theoretical and Computational Chemistry

Working Paper

Data-driven Discovery of Photoactive Quaternary Oxides using First-principles Machine Learning

Daniel Davies, Keith T. Butler, Aron Walsh

Version 1 posted 18 April 2019

1,141

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Materials Science

Working Paper

Anharmonic Origin of Giant Thermal Displacements in the Metal-Organic Framework UiO-67

Katrine Svane, Jessica Bristow, Aron Walsh

Version 1 posted 15 September 2017

730

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Materials Science

Working Paper

Order-disorder transition in Cu2ZnSnS4 solar cells from Monte Carlo simulations

Suzanne Wallace, Jarvist Frost, Aron Walsh

Version 2 posted 12 November 2018

1,385

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Materials Science

Working Paper

Investigation of Charge-Transfer Interactions Induced by Encapsulating Fullerene in a Mesoporous Tetrathiafulvalene-Based Metal-Organic Framework

Manuel Souto, Joaquín Calbo, Samuel Mañas-Valero, Aron Walsh, Guillermo Minguez Espallargas

Version 1 posted 02 July 2019

786

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1

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41 results in Aron Walsh in Authors: Aron Walsh

Interplay of static and dynamic disorder in the mixed-metal chalcohalide Sn₂SbS₂I₃

Crystal Engineering of Bi2WO6 to Polar Aurivillius-Phase Oxyhalides

Polymorph Exploration of Bismuth Stannate Using First-principles Phonon Mode Mapping

Ligand Engineering in Cu(II) Paddle Wheel Metal-Organic Frameworks for Enhanced Electrical Conductivity

Descriptors for Electron and Hole Charge Carriers in Metal Oxides

Assessment of Dynamic Structural Instabilities Across 24 Cubic Inorganic Halide Perovskites

Data-driven Discovery of Photoactive Quaternary Oxides using First-principles Machine Learning

Anharmonic Origin of Giant Thermal Displacements in the Metal-Organic Framework UiO-67

Order-disorder transition in Cu2ZnSnS4 solar cells from Monte Carlo simulations

Investigation of Charge-Transfer Interactions Induced by Encapsulating Fullerene in a Mesoporous Tetrathiafulvalene-Based Metal-Organic Framework

41 results in Authors: Aron Walsh