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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

Version 3 posted 03 November 2022

942

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Chemistry

Working Paper

Phase quantification of heterogeneous surfaces using DFT simulated valence band photoemission spectra

Roxy Lee, Raul Quesada-Cabrera, Joe Willis, Asif Iqbal, Ivan Parkin, David Scanlon, Robert Palgrave

Version 1 posted 17 March 2023

242

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Chemistry

Working Paper

Exploring battery cathode materials in the Li-Ni-O phase diagrams using structure prediction

Jiayi Cen, Bonan Zhu, David Scanlon

Version 2 posted 29 December 2022

535

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2

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Chemistry

Working Paper

Exploring Bismuth coordination complexes as visible light absorbers: Synthesis, characterization and photophysical properties

Harsh Bhatia, Junjun Guo, Christopher N. Savory, Martyn Rush, David Iain James, Avishek Dey, Charles Chen, Dejan-Krešimir Bučar, Tracey M. Clarke, David O. Scanlon, Robert G. Palgrave, Bob C. Schroeder

Version 1 posted 09 October 2023

262

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Chemistry

Working Paper

Computational Prediction of an Antimony-based n-type Transparent Conducting Oxide: F-doped Sb2O5

Ke Li, Joe Willis, Seán R. Kavanagh, David O. Scanlon

Version 1 posted 22 December 2023

311

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Chemistry

Working Paper

Mixed-Cation Vacancy-Ordered Perovskites (Cs₂Ti₁₋ₓSnₓX₆; X = I, Br): High Miscibility, Additivity and Tunable Stability

Shanti Liga, Seán R. Kavanagh, Aron Walsh, David O. Scanlon, Gerasimos Konstantatos

Version 2 posted 22 September 2023

610

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1

Citations

Chemistry

Working Paper

On the Possibility of p-type Doping in Barium Stannate

Joe Willis, Kieran B. Spooner, David O. Scanlon

Version 1 posted 01 August 2023

250

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1

Citations

Chemistry

Working Paper

Intrinsic point defect tolerance in selenium for indoor and tandem photovoltaics

Seán R. Kavanagh, Rasmus S. Nielsen, John L. Hansen, Rasmus S. Davidsen, Ole Hansen, Alp E. Samli, Peter C. Vesborg, David O. Scanlon, Aron Walsh

Version 1 posted 10 October 2024

574

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Chemistry

Working Paper

Oxygen dimerization as a defect-driven process in bulk LiNiO2

Alexander G. Squires, Lavan Ganeshkumar, Seán R. Kavanagh, Christopher N. Savory, David O. Scanlon

Version 1 posted 06 May 2024

346

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Chemistry

Working Paper

Limits to Hole Mobility and Doping in Copper Iodide

Joe Willis, Romain Claes, Qi Zhou, Matteo Giantomassi, Gian-Marco Rignanese, Geoffroy Hautier, David O. Scanlon

Version 1 posted 27 June 2023

312

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44 results in David Scanlon in Authors: David Scanlon

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

Phase quantification of heterogeneous surfaces using DFT simulated valence band photoemission spectra

Exploring battery cathode materials in the Li-Ni-O phase diagrams using structure prediction

Exploring Bismuth coordination complexes as visible light absorbers: Synthesis, characterization and photophysical properties

Computational Prediction of an Antimony-based n-type Transparent Conducting Oxide: F-doped Sb2O5

Mixed-Cation Vacancy-Ordered Perovskites (Cs₂Ti₁₋ₓSnₓX₆; X = I, Br): High Miscibility, Additivity and Tunable Stability

On the Possibility of p-type Doping in Barium Stannate

Intrinsic point defect tolerance in selenium for indoor and tandem photovoltaics

Oxygen dimerization as a defect-driven process in bulk LiNiO2

Limits to Hole Mobility and Doping in Copper Iodide

44 results in Authors: David Scanlon