Dr John Buckeridge


NameDr John Buckeridge
Job titleLecturer
Organisational UnitElectrical and Electronic Engineering
ORCIDhttps://orcid.org/0000-0002-2537-5082

Research outputs

Enhanced Photocatalytic and Antibacterial Ability of Cu-Doped Anatase TiO2 Thin Films: Theory and Experiment

Alotaibi, Abdullah M, Williamson, Benjamin AD, Sathasivam, Sanjayan, Kafizas, Andreas, Alqahtani, Mahdi, Sotelo-Vazquez, Carlos, Buckeridge, John, Wu, Jiang, Nair, Sean P, Scanlon, David O and Parkin, Ivan P (2020). Enhanced Photocatalytic and Antibacterial Ability of Cu-Doped Anatase TiO2 Thin Films: Theory and Experiment. ACS applied materials & interfaces. 12 (13), pp. 15348-15361. https://doi.org/10.1021/acsami.9b22056

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

Buckeridge, J., Veal, T.D., Catlow, C.R.A. and Scanlon, D.O. (2019). Intrinsic point defects and the n- and p-type dopability of the narrow gap semiconductors GaSb and InSb. Physical Review B. 100, p. 035207. https://doi.org/10.1103/PhysRevB.100.035207

Equilibrium point defect and charge carrier concentrations in a material determined through calculation of the self-consistent Fermi energy

Buckeridge, J. (2019). Equilibrium point defect and charge carrier concentrations in a material determined through calculation of the self-consistent Fermi energy. Computer Physics Communications. 244, pp. 329-342. https://doi.org/10.1016/j.cpc.2019.06.017

Donor and acceptor characteristics of native point defects in GaN

Xie, Z., Sui, Y., Buckeridge, J., Catlow, C.R.A., Keal, T.W., Sherwood, P., Walsh, A., Farrow, M.R., Scanlon, D.O., Woodley, S.M. and Sokol, A.A. (2019). Donor and acceptor characteristics of native point defects in GaN. Journal of Physics D: Applied Physics. 52, p. 335104. https://doi.org/10.1088/1361-6463/ab2033

Electronic band structure and optical properties of boron arsenide

Buckeridge, J. and Scanlon, D.O. (2019). Electronic band structure and optical properties of boron arsenide. Physical Review Materials. 3, p. 051601(R). https://doi.org/10.1103/PhysRevMaterials.3.051601

Dispelling the Myth of Passivated Codoping in TiO2

Williamson, B.A.D., Buckeridge, J., Chadwick, N.P., Sathasivam, S., Carmalt, C.J., Parkin, I.P. and Scanlon, D.O. (2019). Dispelling the Myth of Passivated Codoping in TiO2. Chemistry of Materials. 31, pp. 2577-2589. https://doi.org/10.1021/acs.chemmater.9b00257

Defect formation in In2O3 and SnO2: a new atomistic approach based on accurate lattice energies

Hou, Q., Buckeridge, J., Lazauskas, T., Mora-Fonz, D., Sokol, A.A., Woodley, S.M. and Catlow, C.R.A. (2018). Defect formation in In2O3 and SnO2: a new atomistic approach based on accurate lattice energies. The Journal of Materials Chemistry C. 6, pp. 12386-12395. https://doi.org/10.1039/C8TC04760J

Oxidation states and ionicity

Walsh, A., Sokol, A.A., Buckeridge, J., Scanlon, D.O. and Catlow, C.R.A. (2018). Oxidation states and ionicity. Nature Materials. 17, p. 958–964. https://doi.org/10.1038/s41563-018-0165-7

Prediction of multiband luminescence due to the gallium vacancy–oxygen defect complex in GaN

Xie, Z., Sui, Y., Buckeridge, J., Sokol, A.A., Keal, T.W. and Walsh, A. (2018). Prediction of multiband luminescence due to the gallium vacancy–oxygen defect complex in GaN. Applied Physics Letters. 112, p. 262104. https://doi.org/10.1063/1.5026751

Deep vs shallow nature of oxygen vacancies and consequent n-type carrier concentrations in transparent conducting oxides

Buckeridge, J., Catlow, C.R.A., Farrow, M.R., Logsdail, A.J., Scanlon, D.O., Keal, T.W., Sherwood, P., Woodley, S.M. and Sokol, A.A. (2018). Deep vs shallow nature of oxygen vacancies and consequent n-type carrier concentrations in transparent conducting oxides. Physical Review Materials. 2, p. 054604. https://doi.org/10.1103/PhysRevMaterials.2.054604

Defect Engineering of Earth-Abundant Solar Absorbers BiSI and BiSeI

Ganose, A.M., Matsumoto, S., Buckeridge, J. and Scanlon, D.O. (2018). Defect Engineering of Earth-Abundant Solar Absorbers BiSI and BiSeI. Chemistry of Materials. 30, pp. 3827-3835. https://doi.org/10.1021/acs.chemmater.8b01135

Thermodynamically accessible titanium clusters Ti_N, N = 2–32

Lazauskas, T., Sokol, A.A., Buckeridge, J., Catlow, C.R.A., Escher, S.G.E.T., Farrow, M.R., Mora-Fonz, D., Blum, V.W., Phaahla, T.M., Chauke, H.R., Ngoepee, P.E. and Woodley, S.M. (2018). Thermodynamically accessible titanium clusters Ti_N, N = 2–32 . Physical Chemistry Chemical Physics. 20, pp. 13962-13973. https://doi.org/10.1039/C8CP00406D

Screening Divalent Metals for A- and B-Site Dopants in LaFeO3

Taylor, F.H., Buckeridge, J. and Catlow, C.R.A. (2017). Screening Divalent Metals for A- and B-Site Dopants in LaFeO3. Chemistry of Materials. 29, pp. 8147-8157. https://doi.org/10.1021/acs.chemmater.7b01993

Quantum Mechanical/Molecular Mechanical (QM/MM) Approaches

Catlow, C.R.A., Buckeridge, J., Farrow, M.R., Logsdail, A.J. and Sokol, A.A. (2017). Quantum Mechanical/Molecular Mechanical (QM/MM) Approaches. in: Dronskowski, R., Kikkawa, S. and Stein, A. (ed.) Handbook of Solid State Chemistry Wiley-VCH. pp. 647-680

Electron Counting in Solids: Oxidation States, Partial Charges, and Ionicity

Walsh, A., Sokol, A.A., Buckeridge, J., Scanlon, D.O. and Catlow, C.R.A. (2017). Electron Counting in Solids: Oxidation States, Partial Charges, and Ionicity. The Journal of Physical Chemistry Letters. 8, pp. 2074-2075. https://doi.org/10.1021/acs.jpclett.7b00809

Heterostructures of GaN with SiC and ZnO enhance carrier stability and separation in framework semiconductors

Farrow, M.R., Buckeridge, J., Lazauskas, T., Mora-Fonz, D., Scanlon, D.O., Catlow, C.R.A., Woodley, S.M. and Sokol, A.A. (2017). Heterostructures of GaN with SiC and ZnO enhance carrier stability and separation in framework semiconductors. Physica Status Solidi A. 214, p. 1600440. https://doi.org/10.1002/pssa.201600440

Demonstration of the donor characteristics of Si and O defects in GaN using hybrid QM/MM

Xie, Z., Sui, Y., Buckeridge, J., Catlow, C.R.A., Keal, T.W., Sherwood, P., Walsh, A., Scanlon, D.O., Woodley, S.M. and Sokol, A.A. (2016). Demonstration of the donor characteristics of Si and O defects in GaN using hybrid QM/MM. Physica Status Solidi A. 214, p. 1600445. https://doi.org/10.1002/pssa.201600445

Defects and Oxide Ion Migration in the Solid Oxide Fuel Cell Cathode Material LaFeO3

Taylor, F.H., Buckeridge, J. and Catlow, C.R.A. (2016). Defects and Oxide Ion Migration in the Solid Oxide Fuel Cell Cathode Material LaFeO3. Chemistry of Materials. 28, pp. 8210-8220. https://doi.org/10.1021/acs.chemmater.6b03048

Nonstoichiometry and Weyl fermionic behavior in TaAs

Buckeridge, J., Jevdokimovs, D., Catlow, C.R.A. and Sokol, A.A. (2016). Nonstoichiometry and Weyl fermionic behavior in TaAs. Physical Review B. 94, p. 180101(R). https://doi.org/10.1103/PhysRevB.94.180101

Engineering Valence Band Dispersion for High Mobility p-Type Semiconductors

Williamson, B.A.D., Buckeridge, J., Brown, J., Ansbrot, S., Palgrave, R.G. and Scanlon, D.O. (2016). Engineering Valence Band Dispersion for High Mobility p-Type Semiconductors. Chemistry of Materials. 29, pp. 2402-2413. https://doi.org/10.1021/acs.chemmater.6b03306

Band gap reduction in InNxSb1-x alloys: Optical absorption, k · P modeling, and density functional theory

Linhart, W.M., Rajpalke, M.K., Buckeridge, J., Murgatroyd, P.A.E., Bomphrey, J.J., Alaria, J., Catlow, C.R.A., Scanlon, D.O., Ashwin, M.J. and Veal, T.D. (2016). Band gap reduction in InNxSb1-x alloys: Optical absorption, k · P modeling, and density functional theory . Applied Physics Letters. 109, p. 132104. https://doi.org/10.1063/1.4963836

Vibronic Structure in Room Temperature Photoluminescence of the Halide Perovskite Cs3Bi2Br9

Bass, K.K., Estergreen, L., Savory, C.N., Buckeridge, J., Scanlon, D.O., Djurovich, P.I., Bradforth, S.E., Thompson, M.E. and Melot, B.C. (2016). Vibronic Structure in Room Temperature Photoluminescence of the Halide Perovskite Cs3Bi2Br9. Inorganic Chemistry. 56, pp. 42-45. https://doi.org/10.1021/acs.inorgchem.6b01571

Anharmonicity in the High-Temperature Cmcm Phase of SnSe: Soft Modes and Three-Phonon Interactions

Skelton, J. M., Burton, L. A., Parker, S. C., Walsh, A., Kim, C.-E., Soon, A., Buckeridge, J., Sokol, A. A., Catlow, C. R. A., Togo, A. and Tanaka, I. (2019). Anharmonicity in the High-Temperature Cmcm Phase of SnSe: Soft Modes and Three-Phonon Interactions. Physical Review Letters. 117, p. 075502. https://doi.org/10.1103/PhysRevLett.117.075502

Efficient and accurate approach to modeling the microstructure and defect properties of LaCoO3

Buckeridge, J., Taylor, F. H. and Catlow, C. R. A. (2016). Efficient and accurate approach to modeling the microstructure and defect properties of LaCoO3. Physical Review B. 93, p. 155123. https://doi.org/10.1103/PhysRevB.93.155123

One-Dimensional Nanosystems

Buckeridge, J. and Sokol, A. A. One-Dimensional Nanosystems. in: Bromley, S. T. and Zwijnenburg, M. A. (ed.) Computational Modeling of Inorganic Nanomaterials CRC Press - Taylor and Francis Group. pp. 47-82

Single Step Solution Processed GaAs Thin Films from GaMe3 and tBuAsH2 under Ambient Pressure

Sathasivam, S., Arnepalli, R. R., Bhachu, D. S., Lu, Y., Buckeridge, J., Scanlon, D. O., Kumar, B., Singh, K. K., Visser, R. J., Blackman, C. S. and Carmalt, C. J. Single Step Solution Processed GaAs Thin Films from GaMe3 and tBuAsH2 under Ambient Pressure. The Journal of Physical Chemistry C. 120, pp. 7013-7019. https://doi.org/10.1021/acs.jpcc.6b00850

Bulk electronic, elastic, structural, and dielectric properties of the Weyl semimetal TaAs

Buckeridge, J., Jevdokimovs, D., Catlow, C. R. A. and Sokol, A. A. Bulk electronic, elastic, structural, and dielectric properties of the Weyl semimetal TaAs. Physical Review B. 93, p. 125205. https://doi.org/10.1103/PhysRevB.93.125205

Band energy control of molybdenum oxide by surface hydration

Butler, K. T., Crespo-Otero, R., Buckeridge, J., Scanlon, D. O., Bovill, E., Lidzey, D. and Walsh, A. (2015). Band energy control of molybdenum oxide by surface hydration . Applied Physics Letters. 107, p. 231605. https://doi.org/10.1063/1.4937460

Buckeridge et al. Reply:

Buckeridge, J., Catlow, C. R. A., Scanlon, D. O., Keal, T. W., Sherwood, P., Miskufova, M., Walsh, A., Woodley, S. M. and Sokol, A. A. (2015). Buckeridge et al. Reply: Physical Review Letters. 115, p. 029702. https://doi.org/10.1103/PhysRevLett.115.029702

Polymorph Engineering of TiO2: Demonstrating How Absolute Reference Potentials Are Determined by Local Coordination

Buckeridge, J., Butler, K. T., Catlow, C. R. A., Logsdail, A. J., Scanlon, D. O., Shevlin, S. A., Woodley, S. M., Sokol, A. A. and Walsh, A. (2015). Polymorph Engineering of TiO2: Demonstrating How Absolute Reference Potentials Are Determined by Local Coordination. Chemistry of Materials. 27, pp. 3844-3851. https://doi.org/10.1021/acs.chemmater.5b00230

Morphological Features and Band Bending at Nonpolar Surfaces of ZnO

Mora-Fonz, D., Buckeridge, J., Logsdail, A. J., Scanlon, D. O., Sokol, A. A., Woodley, S. M. and Catlow, C. R. A. (2015). Morphological Features and Band Bending at Nonpolar Surfaces of ZnO. The Journal of Physical Chemistry C. 119, pp. 11598-11611. https://doi.org/10.1021/acs.jpcc.5b01331

Determination of the Nitrogen Vacancy as a Shallow Compensating Center in GaN Doped with Divalent Metals

Buckeridge, J., Catlow, C. R. A., Scanlon, D. O., Keal, T. W., Sherwood, P., Miskufova, M., Walsh, A., Woodley, S. M. and Sokol, A. A. (2015). Determination of the Nitrogen Vacancy as a Shallow Compensating Center in GaN Doped with Divalent Metals. Physical Review Letters. 114, p. 016405. https://doi.org/10.1103/PhysRevLett.114.016405

Double bubbles: a new structural motif for enhanced electron–hole separation in solids

Sokol, A. A., Farrow, M. R., Buckeridge, J., Logsdail, A. J., Catlow, C. R. A., Scanlon, D. O. and Woodley, S. M. (2014). Double bubbles: a new structural motif for enhanced electron–hole separation in solids. Physical Chemistry Chemical Physics. 16, pp. 21098-21105. https://doi.org/10.1039/C4CP01900H

From Stable ZnO and GaN Clusters to Novel Double Bubbles and Frameworks

Farrow, M. R., Buckeridge, J., Catlow, C. R. A., Logsdail, A. J., Scanlon, D. O., Sokol, A. A. and Woodley, S. M. (2014). From Stable ZnO and GaN Clusters to Novel Double Bubbles and Frameworks. Inorganics. 2, pp. 248-263. https://doi.org/10.3390/inorganics2020248

Crystal electron binding energy and surface work function control of tin dioxide

Butler, K. T., Buckeridge, J., Catlow, C. R. A. and Walsh, A. Crystal electron binding energy and surface work function control of tin dioxide. Physical Review B. 89, p. 115320. https://doi.org/10.1103/PhysRevB.89.115320

Understanding doping anomalies in degenerate p-type semiconductor LaCuOSe

Scanlon, D. O., Buckeridge, J., Catlow, C. R. A. and Watson, G. W. (2014). Understanding doping anomalies in degenerate p-type semiconductor LaCuOSe . Journal of Materials Chemistry C. 17, pp. 3429-3438. https://doi.org/10.1039/C4TC00096J

N incorporation and associated localized vibrational modes in GaSb

Buckeridge, J., Scanlon, D. O., Veal, T. D., Ashwin, M. J., Walsh, A. and Catlow, C. R. A. (2014). N incorporation and associated localized vibrational modes in GaSb. Physical Review B. 89, p. 014107. https://doi.org/10.1103/PhysRevB.89.014107

Automated procedure to determine the thermodynamic stability of a material and the range of chemical potentials necessary for its formation relative to competing phases and compounds

Buckeridge, J., Scanlon, D. O., Walsh, A. and Catlow, C. R. A. (2014). Automated procedure to determine the thermodynamic stability of a material and the range of chemical potentials necessary for its formation relative to competing phases and compounds. Computer Physics Communications. 185, pp. 330-338. https://doi.org/10.1016/j.cpc.2013.08.026
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