Search

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

652

Downloads

Energy

Working Paper

Accumulation of Deep Traps at Grain Boundaries in Halide Perovskites

Ji-Sang Park, Joaquín Calbo, Young-Kwang Jung, lucy whalley, Aron Walsh

833

Downloads

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

949

Downloads

Materials Chemistry

Working Paper

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

251

Downloads

Materials Chemistry

Working Paper

Low Electronic Conductivity of Li7La3Zr2O12 (LLZO) Solid Electrolytes from First Principles

Alex Squires, Daniel Davies, Sunghyun Kim, David Scanlon, Aron Walsh, Benjamin Morgan

1,142

Downloads

Materials Chemistry

Review

Free energy predictions for crystal stability and synthesisability

Kasper Tolborg, Johan Klarbring, Alex M. Ganose, Aron Walsh

1,014

Downloads

1

Citations

Theoretical and Computational Chemistry

Working Paper

Breaking the aristotype: featurisation of polyhedral distortions in perovskite crystals

Kazuki Morita, Daniel Davies, Keith Butler, Aron Walsh

657

Downloads

Materials Science

Working Paper

Phase Diagram and Cation Dynamics of Mixed MA1-xFAxPbBr3 Hybrid Perovskites

Mantas Simenas, Sergejus Balčiūnas, Sarunas Svirskas, Martynas Kinka, Maciej Ptak, Vidmantas Kalendra, Anna Gągor, Daria Szewczyk, Adam Sieradzki, Robertas Grigalaitis, Aron Walsh, Mirosław Mączka, Jūras Banys

263

Downloads

Materials Chemistry

Working Paper

Enhanced visible light absorption in layered Cs3Bi2Br9 through mixed-valence Sn(II) / Sn(IV) doping

Chantalle Krajewska, Seán Kavanagh, Lina Zhang, Dominik Kubicki, Krishanu Dey, Krzysztof Gałkowski, Clare Grey, Samuel Stranks, Aron Walsh, David Scanlon, Robert Palgrave

571

Downloads

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

1,113

Downloads

Refine Search

28 results in Aron Walsh in Authors: Aron Walsh

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

Accumulation of Deep Traps at Grain Boundaries in Halide Perovskites

Assessment of Dynamic Structural Instabilities Across 24 Cubic Inorganic Halide Perovskites

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

Low Electronic Conductivity of Li7La3Zr2O12 (LLZO) Solid Electrolytes from First Principles

Free energy predictions for crystal stability and synthesisability

Breaking the aristotype: featurisation of polyhedral distortions in perovskite crystals

Phase Diagram and Cation Dynamics of Mixed MA1-xFAxPbBr3 Hybrid Perovskites

Enhanced visible light absorption in layered Cs3Bi2Br9 through mixed-valence Sn(II) / Sn(IV) doping

Descriptors for Electron and Hole Charge Carriers in Metal Oxides

28 results in Authors: Aron Walsh