Structure and Migration Mechanisms of Small Vacancy Clusters in Cu: A Combined EAM and DFT Study
Fotopoulos, Vasileios, Mora-Fonz, David, Kleinbichler, Manuel, Bodlos, Rishi, Kozeschnik, Ernst, Romaner, Lorenz, Shluger, Alexander L
Published in Nanomaterials (Basel, Switzerland) (25.04.2023)
Published in Nanomaterials (Basel, Switzerland) (25.04.2023)
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Journal Article
Heterostructures of GaN with SiC and ZnO enhance carrier stability and separation in framework semiconductors
Farrow, Matthew R., Buckeridge, John, Lazauskas, Tomas, Mora‐Fonz, David, Scanlon, David O., Catlow, C. Richard A., Woodley, Scott M., Sokol, Alexey A.
Published in Physica status solidi. A, Applications and materials science (01.04.2017)
Published in Physica status solidi. A, Applications and materials science (01.04.2017)
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Journal Article
Why Are Polar Surfaces of ZnO Stable?
Mora-Fonz, David, Lazauskas, Tomas, Farrow, Matthew R, Catlow, C. Richard A, Woodley, Scott M, Sokol, Alexey A
Published in Chemistry of materials (27.06.2017)
Published in Chemistry of materials (27.06.2017)
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Journal Article
Inverse Perovskite Oxysilicides and Oxygermanides as Candidates for Nontoxic Infrared Semiconductor and Their Chemical Bonding Nature
Ohashi, Naoki, Mora-Fonz, David, Otani, Shigeki, Ohgaki, Takeshi, Miyakawa, Masashi, Shluger, Alexander
Published in Inorganic chemistry (21.12.2020)
Published in Inorganic chemistry (21.12.2020)
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Journal Article
Morphology of Cu clusters supported on reconstructed polar ZnO (0001) and (0001&cmb.macr;) surfaces
Higham, Michael D, Mora-Fonz, David, Sokol, Alexey A, Woodley, Scott M, Catlow, C. Richard A
Published in Journal of materials chemistry. A, Materials for energy and sustainability (21.11.2020)
Published in Journal of materials chemistry. A, Materials for energy and sustainability (21.11.2020)
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Journal Article
Defect formation in In2O3 and SnO2: a new atomistic approach based on accurate lattice energies
Hou, Qing, Buckeridge, John, Lazauskas, Tomas, Mora-Fonz, David, Sokol, Alexey A, Woodley, Scott M, Catlow, C. Richard A
Published in Journal of materials chemistry. C, Materials for optical and electronic devices (2018)
Published in Journal of materials chemistry. C, Materials for optical and electronic devices (2018)
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Journal Article
The Nature of the Molybdenum Surface in Iron Molybdate. The Active Phase in Selective Methanol Oxidation
Brookes, Catherine, Wells, Peter P, Dimitratos, Nikolaos, Jones, Wilm, Gibson, Emma K, Morgan, David J, Cibin, Giannantonio, Nicklin, Chris, Mora-Fonz, David, Scanlon, David O, Catlow, C. R. A, Bowker, Mike
Published in Journal of physical chemistry. C (13.11.2014)
Published in Journal of physical chemistry. C (13.11.2014)
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Journal Article
Real and virtual polymorphism of titanium selenide with robust interatomic potentials
Mora-Fonz, David, Schön, J. Christian, Prehl, Janett, Woodley, Scott M, Catlow, C. Richard A, Shluger, Alexander L, Sokol, Alexey A
Published in Journal of materials chemistry. A, Materials for energy and sustainability (28.07.2020)
Published in Journal of materials chemistry. A, Materials for energy and sustainability (28.07.2020)
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Journal Article
Thermodynamically accessible titanium clusters Ti N , N = 2-32
Lazauskas, Tomas, Sokol, Alexey A, Buckeridge, John, Catlow, C Richard A, Escher, Susanne G E T, Farrow, Matthew R, Mora-Fonz, David, Blum, Volker W, Phaahla, Tshegofatso M, Chauke, Hasani R, Ngoepe, Phuti E, Woodley, Scott M
Published in Physical chemistry chemical physics : PCCP (2018)
Published in Physical chemistry chemical physics : PCCP (2018)
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Journal Article
Structural, energetic and electronic properties of (100) surfaces for alkaline earth metal oxides as calculated with hybrid density functional theory
Logsdail, Andrew J., Mora-Fonz, David, Scanlon, David O., Catlow, C. Richard A., Sokol, Alexey A.
Published in Surface science (01.12.2015)
Published in Surface science (01.12.2015)
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Journal Article
Thermodynamically accessible titanium clusters TiN, N = 2-32
Lazauskas, Tomas, Sokol, Alexey A, Buckeridge, John, Catlow, C. Richard A, Escher, Susanne G. E. T, Farrow, Matthew R, Mora-Fonz, David, Blum, Volker W, Phaahla, Tshegofatso M, Chauke, Hasani R, Ngoepe, Phuti E, Woodley, Scott M
Published in Physical chemistry chemical physics : PCCP (23.05.2018)
Published in Physical chemistry chemical physics : PCCP (23.05.2018)
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Journal Article
Heterostructures of GaN with SiC and ZnO enhance carrier stability and separation in framework semiconductors: Heterostructures of GaN with SiC and ZnO
Farrow, Matthew R., Buckeridge, John, Lazauskas, Tomas, Mora-Fonz, David, Scanlon, David O., Catlow, C. Richard A., Woodley, Scott M., Sokol, Alexey A.
Published in Physica status solidi. A, Applications and materials science (01.04.2017)
Published in Physica status solidi. A, Applications and materials science (01.04.2017)
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Journal Article
Defect formation in In 2 O 3 and SnO 2 : a new atomistic approach based on accurate lattice energies
Hou, Qing, Buckeridge, John, Lazauskas, Tomas, Mora-Fonz, David, Sokol, Alexey A., Woodley, Scott M., Catlow, C. Richard A.
Published in Journal of materials chemistry. C, Materials for optical and electronic devices (22.11.2018)
Published in Journal of materials chemistry. C, Materials for optical and electronic devices (22.11.2018)
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Journal Article