Design of Mixed Anion Inorganic Semiconductors for Energy Conversion

Publikacje

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

Autorzy: Gregory J. Limburn, Matthew J. P. Stephens, Benjamin A. D. Williamson, Antonio Iborra-Torres, David O. Scanlon, Geoffrey Hyett
Opublikowane w: Journal of Materials Chemistry A, Numer N/A, 2020, Strona(/y) N/A, ISSN 2050-7488
Wydawca: Royal Society of Chemistry
DOI: 10.1039/d0ta06629j

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

Autorzy: Alex M. Ganose, Adam J. Jackson and David O. Scanlon
Opublikowane w: The Journal of Open Source Software, 2018, ISSN 2475-9066
Wydawca: The Journal of Open Source Software
DOI: 10.21105/joss.00717

Anionic order and band gap engineering in vacancy ordered triple perovskites

Autorzy: Taylor L. Hodgkins, Christopher N. Savory, Kelsey K. Bass, Bethany L. Seckman, David O. Scanlon, Peter I. Djurovich, Mark E. Thompson, Brent C. Melot
Opublikowane w: Chemical Communications, Numer 55/21, 2019, Strona(/y) 3164-3167, ISSN 1359-7345
Wydawca: 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

Autorzy: J. Buckeridge, T. D. Veal, C. R. A. Catlow, D. O. Scanlon
Opublikowane w: Physical Review B, Numer 100/3, 2019, ISSN 2469-9950
Wydawca: APS
DOI: 10.1103/physrevb.100.035207

Galore: Broadening and weighting for simulation of photoelectron spectroscopy

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

Oxidation states and ionicity

Autorzy: Aron Walsh, Alexey A. Sokol, John Buckeridge, David O. Scanlon, C. Richard A. Catlow
Opublikowane w: Nature Materials, Numer 17/11, 2018, Strona(/y) 958-964, ISSN 1476-1122
Wydawca: Nature Publishing Group
DOI: 10.1038/s41563-018-0165-7

Defect Engineering of Earth-Abundant Solar Absorbers BiSI and BiSeI

Autorzy: Alex M. Ganose, Saya Matsumoto, John Buckeridge, David O. Scanlon
Opublikowane w: Chemistry of Materials, Numer 30/11, 2018, Strona(/y) 3827-3835, ISSN 0897-4756
Wydawca: American Chemical Society
DOI: 10.1021/acs.chemmater.8b01135

Dispelling the Myth of Passivated Codoping in TiO 2

Autorzy: Benjamin A. D. Williamson, John Buckeridge, Nicholas P. Chadwick, Sanjayan Sathasivam, Claire J. Carmalt, Ivan P. Parkin, David O. Scanlon
Opublikowane w: Chemistry of Materials, Numer 31/7, 2019, Strona(/y) 2577-2589, ISSN 0897-4756
Wydawca: American Chemical Society
DOI: 10.1021/acs.chemmater.9b00257

Descriptors for Electron and Hole Charge Carriers in Metal Oxides

Autorzy: Daniel W. Davies, Christopher N. Savory, Jarvist M. Frost, David O. Scanlon, Benjamin J. Morgan, Aron Walsh
Opublikowane w: The Journal of Physical Chemistry Letters, Numer 11/2, 2019, Strona(/y) 438-444, ISSN 1948-7185
Wydawca: 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

Autorzy: Maham M. S. Karim, Alex M. Ganose, Laura Pieters, W. W. Winnie Leung, Jessica Wade, Lina Zhang, David O. Scanlon, Robert G. Palgrave
Opublikowane w: Chemistry of Materials, Numer 31/22, 2019, Strona(/y) 9430-9444, ISSN 0897-4756
Wydawca: American Chemical Society
DOI: 10.1021/acs.chemmater.9b03267

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

Autorzy: Benjamin A.D. Williamson, Gregory J. Limburn, Graeme W. Watson, Geoffrey Hyett, David O. Scanlon
Opublikowane w: Matter, Numer 3/3, 2020, Strona(/y) 759-781, ISSN 2590-2385
Wydawca: Cell Press
DOI: 10.1016/j.matt.2020.05.020

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

Autorzy: Maud Einhorn, Benjamin A. D. Williamson, David O. Scanlon
Opublikowane w: Journal of Materials Chemistry A, Numer 8/16, 2020, Strona(/y) 7914-7924, ISSN 2050-7488
Wydawca: Royal Society of Chemistry
DOI: 10.1039/d0ta00690d

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