Design of Mixed Anion Inorganic Semiconductors for Energy Conversion

Pubblicazioni

Photocatalytic, structural and optical properties of mixed anion solid solutions Ba 3 Sc 2−x In x O 5 Cu 2 S 2 and Ba 3 In 2 O 5 Cu

Autori: Gregory J. Limburn, Matthew J. P. Stephens, Benjamin A. D. Williamson, Antonio Iborra-Torres, David O. Scanlon, Geoffrey Hyett
Pubblicato in: Journal of Materials Chemistry A, Numero N/A, 2020, Pagina/e N/A, ISSN 2050-7488
Editore: Royal Society of Chemistry
DOI: 10.1039/d0ta06629j

sumo: Command-line tools for plotting and analysis of periodic *ab initio* calculations

Autori: Alex M. Ganose, Adam J. Jackson and David O. Scanlon
Pubblicato in: The Journal of Open Source Software, 2018, ISSN 2475-9066
Editore: The Journal of Open Source Software
DOI: 10.21105/joss.00717

Anionic order and band gap engineering in vacancy ordered triple perovskites

Autori: Taylor L. Hodgkins, Christopher N. Savory, Kelsey K. Bass, Bethany L. Seckman, David O. Scanlon, Peter I. Djurovich, Mark E. Thompson, Brent C. Melot
Pubblicato in: Chemical Communications, Numero 55/21, 2019, Pagina/e 3164-3167, ISSN 1359-7345
Editore: Royal Society of Chemistry
DOI: 10.1039/c8cc09947b

Intrinsic point defects and the n - and p -type dopability of the narrow gap semiconductors GaSb and InSb

Autori: J. Buckeridge, T. D. Veal, C. R. A. Catlow, D. O. Scanlon
Pubblicato in: Physical Review B, Numero 100/3, 2019, ISSN 2469-9950
Editore: APS
DOI: 10.1103/physrevb.100.035207

Galore: Broadening and weighting for simulation of photoelectron spectroscopy

Autori: Adam J. Jackson, Alex M. Ganose, Anna Regoutz, Russell G. Egdell and David O. Scanlon
Pubblicato in: The Journal of Open Source Software, 2018, ISSN 2475-9066
Editore: The Journal of Open Source Software
DOI: 10.21105/joss.00773

Oxidation states and ionicity

Autori: Aron Walsh, Alexey A. Sokol, John Buckeridge, David O. Scanlon, C. Richard A. Catlow
Pubblicato in: Nature Materials, Numero 17/11, 2018, Pagina/e 958-964, ISSN 1476-1122
Editore: Nature Publishing Group
DOI: 10.1038/s41563-018-0165-7

Defect Engineering of Earth-Abundant Solar Absorbers BiSI and BiSeI

Autori: Alex M. Ganose, Saya Matsumoto, John Buckeridge, David O. Scanlon
Pubblicato in: Chemistry of Materials, Numero 30/11, 2018, Pagina/e 3827-3835, ISSN 0897-4756
Editore: American Chemical Society
DOI: 10.1021/acs.chemmater.8b01135

Dispelling the Myth of Passivated Codoping in TiO 2

Autori: Benjamin A. D. Williamson, John Buckeridge, Nicholas P. Chadwick, Sanjayan Sathasivam, Claire J. Carmalt, Ivan P. Parkin, David O. Scanlon
Pubblicato in: Chemistry of Materials, Numero 31/7, 2019, Pagina/e 2577-2589, ISSN 0897-4756
Editore: American Chemical Society
DOI: 10.1021/acs.chemmater.9b00257

Descriptors for Electron and Hole Charge Carriers in Metal Oxides

Autori: Daniel W. Davies, Christopher N. Savory, Jarvist M. Frost, David O. Scanlon, Benjamin J. Morgan, Aron Walsh
Pubblicato in: The Journal of Physical Chemistry Letters, Numero 11/2, 2019, Pagina/e 438-444, ISSN 1948-7185
Editore: American Chemical Society
DOI: 10.1021/acs.jpclett.9b03398

Anion Distribution, Structural Distortion, and Symmetry-Driven Optical Band Gap Bowing in Mixed Halide Cs 2 SnX 6 Vacancy Ordered Double Perovskites

Autori: Maham M. S. Karim, Alex M. Ganose, Laura Pieters, W. W. Winnie Leung, Jessica Wade, Lina Zhang, David O. Scanlon, Robert G. Palgrave
Pubblicato in: Chemistry of Materials, Numero 31/22, 2019, Pagina/e 9430-9444, ISSN 0897-4756
Editore: American Chemical Society
DOI: 10.1021/acs.chemmater.9b03267

Computationally Driven Discovery of Layered Quinary Oxychalcogenides: Potential p-Type Transparent Conductors?

Autori: Benjamin A.D. Williamson, Gregory J. Limburn, Graeme W. Watson, Geoffrey Hyett, David O. Scanlon
Pubblicato in: Matter, Numero 3/3, 2020, Pagina/e 759-781, ISSN 2590-2385
Editore: Cell Press
DOI: 10.1016/j.matt.2020.05.020

Computational prediction of the thermoelectric performance of LaZnOPn (Pn = P, As)

Autori: Maud Einhorn, Benjamin A. D. Williamson, David O. Scanlon
Pubblicato in: Journal of Materials Chemistry A, Numero 8/16, 2020, Pagina/e 7914-7924, ISSN 2050-7488
Editore: Royal Society of Chemistry
DOI: 10.1039/d0ta00690d

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