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Design of Mixed Anion Inorganic Semiconductors for Energy Conversion

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Publications

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

Author(s): Alex M. Ganose, Adam J. Jackson and David O. Scanlon
Published in: The Journal of Open Source Software, 2018, ISSN 2475-9066
DOI: 10.21105/joss.00717

Anionic order and band gap engineering in vacancy ordered triple perovskites

Author(s): Taylor L. Hodgkins, Christopher N. Savory, Kelsey K. Bass, Bethany L. Seckman, David O. Scanlon, Peter I. Djurovich, Mark E. Thompson, Brent C. Melot
Published in: Chemical Communications, Issue 55/21, 2019, Page(s) 3164-3167, ISSN 1359-7345
DOI: 10.1039/c8cc09947b

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

Author(s): J. Buckeridge, T. D. Veal, C. R. A. Catlow, D. O. Scanlon
Published in: Physical Review B, Issue 100/3, 2019, ISSN 2469-9950
DOI: 10.1103/physrevb.100.035207

Galore: Broadening and weighting for simulation of photoelectron spectroscopy

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

Oxidation states and ionicity

Author(s): Aron Walsh, Alexey A. Sokol, John Buckeridge, David O. Scanlon, C. Richard A. Catlow
Published in: Nature Materials, Issue 17/11, 2018, Page(s) 958-964, ISSN 1476-1122
DOI: 10.1038/s41563-018-0165-7

Defect Engineering of Earth-Abundant Solar Absorbers BiSI and BiSeI

Author(s): Alex M. Ganose, Saya Matsumoto, John Buckeridge, David O. Scanlon
Published in: Chemistry of Materials, Issue 30/11, 2018, Page(s) 3827-3835, ISSN 0897-4756
DOI: 10.1021/acs.chemmater.8b01135

Dispelling the Myth of Passivated Codoping in TiO 2

Author(s): Benjamin A. D. Williamson, John Buckeridge, Nicholas P. Chadwick, Sanjayan Sathasivam, Claire J. Carmalt, Ivan P. Parkin, David O. Scanlon
Published in: Chemistry of Materials, Issue 31/7, 2019, Page(s) 2577-2589, ISSN 0897-4756
DOI: 10.1021/acs.chemmater.9b00257