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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

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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

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Materials Science

Working Paper

Predicting stable lithium iron oxysulphides for battery cathodes

Bonan Zhu, David O. Scanlon

468

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Materials Chemistry

Working Paper

Frenkel Excitons in Vacancy-ordered Titanium Halide Perovskites (Cs₂TiX₆)

Seán R. Kavanagh, Christopher N. Savory, Shanti M. Liga, Gerasimos Konstantatos, Aron Walsh, David O. Scanlon

719

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Materials Chemistry

Working Paper

Computational prediction and experimental realisation of earth abundant transparent conducting oxide Ga-doped ZnSb2O6

Adam J. Jackson, Benjamin J. Parrett, Joe Willis, Alex M. Ganose, W. W. Winnie Leung, Benjamin A. D. Williamson, Yuhan Liu, Timur K. Kim, Moritz Hoesch, Larissa S. I. Veiga, Raman Kalra, Jens Neu, Charles A. Schmuttenmaer, Tien-Lin Lee, Anna Regoutz, Tim D. Veal, Robert G. Palgrave, Robin Perry, David O. Scanlon

462

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Theoretical and Computational Chemistry

Working Paper

Y2Ti2O5S2 – a promising n-type oxysulphide for thermoelectric applications

Katarina Brlec, Kieran B. Spooner, Jonathan M. Skelton, David O. Scanlon

251

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Materials Science

Working Paper

Prediction and realisation of high mobility and degenerate p-type conductivity in CaCuP thin films

Joe Willis, Ivona Bravic, Rekha R. Schnepf, Karen N. Heinselman, Bartomeu Monserrat, Thomas Unold, Andriy Zakutayev, David O. Scanlon, Andrea Crovetto

216

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Theoretical and Computational Chemistry

Working Paper

Machine learned calibrations to high-throughput molecular excited state calculations

Shomik Verma, Miguel Rivera, David O. Scanlon, Aron Walsh

487

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Materials Chemistry

Working Paper

Understanding the limits to Short-range order Suppression in Many-Component Disordered Rock Salt Lithium-ion Cathode Materials

Alexander G. Squires, David O. Scanlon

123

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9 results in David O. Scanlon in Authors: David O. Scanlon

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

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

Predicting stable lithium iron oxysulphides for battery cathodes

Frenkel Excitons in Vacancy-ordered Titanium Halide Perovskites (Cs₂TiX₆)

Computational prediction and experimental realisation of earth abundant transparent conducting oxide Ga-doped ZnSb2O6

Y2Ti2O5S2 – a promising n-type oxysulphide for thermoelectric applications

Prediction and realisation of high mobility and degenerate p-type conductivity in CaCuP thin films

Machine learned calibrations to high-throughput molecular excited state calculations

Understanding the limits to Short-range order Suppression in Many-Component Disordered Rock Salt Lithium-ion Cathode Materials

9 results in Authors: David O. Scanlon