Current Work

My current work is centred around gaining ab-initio insights into current and next generation recheargeable battery technologies. My work will use a combination of density functional theory (DFT), molecular dynamics (MD) and kinetic monte-carlo techniques to understand the various properties of battery materials. 

Advisor: Prof. Sverre M. Selbach

Background and Previous Work

My work has centred around the bulk electronic and defect properties in semiconductors for a range of applications including: n and p-type transparent conductors, photocatalysis, photovoltaics and thermoelectrics. My work has involved the use of computational simulations to further the understanding that the role of defects and dopants play with respect to the electronic structure as well as using predictive tools to find the next generation of functional materials. 

 
Post Doctoral Research Associate: 2018-2019

Part of the ERC Starting Grant “Design of Mixed Anion Inorganic Semiconductors for Energy Conversion” (DISCOVER) 

University College London

Advisor: Prof. D. O. Scanlon 

PhD: 2014-2018

"Understanding the Electronic and Thermodynamic Properties of Wide Band Gap Materials" 

University College London

Supervisor: Prof. D. O. Scanlon

Co-supervisor: Prof. C. J. Carmalt 

Masters Project: 2013-2014 

"Computational Design of Next Generation p-Type Semiconductors"  

University College London

Supervisor: Prof. D. O. Scanlon 

Publications

Google Scholar

• "Dispelling the Myth of Passivated Codoping in TiO2"

B.A.D. Williamson, J. Buckeridge, N.P. Chadwick, S. Sathasivam, C.J. Carmalt, I.P. Parkin and D.O. Scanlon; Chemistry of Materials, 31 (7), 2577-2589 (2019)  DOI: 10.1021/acs.chemmater.9b00257

• "Computationally Driven Discovery of Layered Quinary Oxychalcogendides: Potential p-Type Transparent Conductors?"

B.A.D. Williamson, G.J. Limburn, G. Hyett and D.O. Scanlon; ChemRxiv (2018)  DOI: chemrxiv.7078205

• "Origin of High-Efficiency Photoelectrochemical Water Splitting on Hematite/Functional Nanohybrid Metal Oxide Overlayer Photoanode after a Low Temperature Inert Gas Annealing Treatment"

S. Ho-Kimura, B.A.D. Williamson*, S. Sathasivam, S.J.A. Moniz, G. He, W. Luo, D.O. Scanlon, J. Tang, I.P. Parkin; ACS Omega, 4 (1), 1449-1459 (2019)  DOI: 10.1021/acsomega.8b02444

• "Phosphorus Doped SnO2 Thin Films for Transparent Conducting Oxide Applications: Synthesis, Optoelectronic Properties and Computational Models" 

M.J. Powell, B.A.D. Williamson*, S-Y. Baek, J. Manzi, D. Potter, D.O. Scanlon and C.J. Carmalt; Chemical Science, 9 (41), 7968-7980 (2018)  DOI: 10.1039/C8SC02152J

•  "Enhanced Electrical Properties of Antimony Doped Tin Oxide Thin Films Deposited via Aerosol Assisted Chemical Vapour Deposition" 

S. Ponja, B.A.D. Williamson*, S. Sathasivam, D.O. Scanlon, I.P. Parkin, C.J. Carmalt; Journal of Materials Chemistry C, 6, 7257-7266 (2018)  DOI: 10.1039/C8TC01929K

• "A Novel Laboratory-based Hard X-ray Photoelectron Spectroscopy System" 

A. Regoutz, M. Mascheck, T. Wiell, S.K. Eriksson, C. Liljenberg, K. Tetzner, B.A.D. Williamson, D. O. Scanlon and P. Palmgren; Review of Scientific Instruments, 89 (7), 073105 (2018)  DOI: 10.1063/1.5039829

• "Chemical Vapor Deposition of Photocatalytically Active Pure Brookite TiO2 Thin Films" 

A.M. Alotaibi, S. Sathasivam, B.A.D. Williamson, A. Kafizas , C. Sotelo-Vazquez, A. Taylor, D.O. Scanlon, and I.P. Parkin; Chem. Mater., 30 (4), 1353-1361 (2018)  DOI: 10.1021/acs.chemmater.7b04944

• "A Deeper Understanding of Interstitial Boron-Doped Anatase Thin Films as A Multifunctional Layer Through Theory and Experiment"

M. Quesada-Gonzalez, B.A.D. Williamson*, C. Sotelo-Vazquez, A. Kafizas, N.D. Boscher, R. Quesada-Cabrera, D.O. Scanlon, C.J. Carmalt, I.P. Parkin; J. Phys. Chem. C,  122 (1), 714-726 (2018)  DOI: 10.1021/acs.jpcc.7b11142

• "Self-Compensation in Transparent Conducting F-Doped SnO2" 

J.E.N. Swallow, B.A.D. Williamson*, T.J. Whittles, M. Birkett, T.J. Featherstone, N. Peng, A. Abbott, M. Farnworth, K.J. Cheetham, P. Warren, D.O. Scanlon, V.R. Dhanak, T.D.Veal; Adv. Funct. Mater., 1701900 (2017)  DOI: 10.1002/adfm.201701900

• "Chemical Vapor Deposition Synthesis and Optical Properties of Nb2O5 Thin Films with Hybrid Functional Theoretical Insight into Band Structure and Band Gaps" 

S. Sathasivam, B.A.D. Williamson*, S.A. Al Thabaiti, A.Y. Obaid, S.N. Basahel, M. Mokhtar, D.O.Scanlon, C.J. Carmalt, I.P.Parkin; ACS Appl. Mater. Interfaces, 9 (21), 18031-18038 (2017)  DOI: 10.1021/acsami.7b00907

• "Computational and Experimental Study of Ta2O5 Thin Films" 

S. Sathasivam, B.A.D. Williamson*, A. Kafizas, S.A. Althabaiti, A.Y. Obaid, S.N. Basahel, D.O. Scanlon, C.J. Carmalt, I.P Parkin; J. Phys. Chem. C, 121 (1), 202-210 (2017)  DOI: 10.1021/acs.jpcc.6b11073

• "Transparent Conducting n-type ZnO:Sc -- Synthesis, Optoelectronic Properties and Theoretical Insight" 

S.C. Dixon, S. Sathasivam, B.A.D. Williamson*, D.O. Scanlon, C.J. Carmalt, I.P. Parkin; J. Mater. Chem. C, 5, 7585-7597 (2017)  DOI: 10.1039/C7TC02389H

• "Engineering Valence Band Dispersion for High Mobility p-Type Semiconductors" 

B.A.D. Williamson, J. Buckeridge, J. Brown, S. Ansbro, R.G. Palgrave, D.O. Scanlon; Chem. Mater., 29 (6), 2402-2413 (2017)  DOI: 10.1021/acs.chemmater.6b03306

• "A Single-Source Precursor Approach to Solution Processed Indium Arsenide Thin Films" 

P. Marchand, S. Sathasivam, B.A.D. Williamson, D. Pugh, S.M. Bawaked, S.N. Basahel, A.Y. Obaid, D.O. Scanlon, I.P. Parkin, C.J. Carmalt; J. Mater. Chem. C, 4, 6761-6768 (2016)  DOI: 10.1039/C6TC02293F

* = corresponding theoretical author