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.

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.

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.

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.

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).

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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).

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.
  • 316
    total views of outputs
  • 249
    total downloads of outputs
  • 3
    views of outputs this month
  • 3
    downloads of outputs this month