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David Mora-Fonz
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Why are polar surfaces of ZnO stable?
D Mora-Fonz, T Lazauskas, MR Farrow, CRA Catlow, SM Woodley, ...
Chemistry of Materials 29 (12), 5306-5320, 2017
1462017
The nature of the molybdenum surface in iron molybdate. The active phase in selective methanol oxidation
C Brookes, PP Wells, N Dimitratos, W Jones, EK Gibson, DJ Morgan, ...
The Journal of Physical Chemistry C 118 (45), 26155-26161, 2014
652014
Defect formation in In 2 O 3 and SnO 2: A new atomistic approach based on accurate lattice energies
Q Hou, J Buckeridge, T Lazauskas, D Mora-Fonz, AA Sokol, SM Woodley, ...
Journal of Materials Chemistry C 6 (45), 12386-12395, 2018
452018
Morphological features and band bending at nonpolar surfaces of ZnO
D Mora-Fonz, J Buckeridge, AJ Logsdail, DO Scanlon, AA Sokol, ...
The Journal of Physical Chemistry C 119 (21), 11598-11611, 2015
362015
Development of interatomic potentials for supported nanoparticles: the Cu/ZnO case
D Mora-Fonz, T Lazauskas, SM Woodley, ST Bromley, CRA Catlow, ...
The Journal of Physical Chemistry C 121 (31), 16831-16844, 2017
262017
Making amorphous ZnO: Theoretical predictions of its structure and stability
D Mora-Fonz, AL Shluger
Physical Review B 99 (1), 014202, 2019
252019
Thermodynamically accessible titanium clusters Ti N, N= 2–32
T Lazauskas, AA Sokol, J Buckeridge, CRA Catlow, SGET Escher, ...
Physical Chemistry Chemical Physics 20 (20), 13962-13973, 2018
242018
Structural, energetic and electronic properties of (100) surfaces for alkaline earth metal oxides as calculated with hybrid density functional theory
AJ Logsdail, D Mora-Fonz, DO Scanlon, CRA Catlow, AA Sokol
Surface Science 642, 58-65, 2015
212015
Modeling of intrinsic electron and hole trapping in crystalline and amorphous ZnO
D Mora‐Fonz, AL Shluger
Advanced Electronic Materials 6 (1), 1900760, 2020
182020
Disorder-induced electron and hole trapping in amorphous
D Mora-Fonz, M Kaviani, AL Shluger
Physical Review B 102 (5), 054205, 2020
162020
Morphology of Cu clusters supported on reconstructed polar ZnO (0001) and (0001 [combining macron]) surfaces
MD Higham, D Mora-Fonz, AA Sokol, SM Woodley, CRA Catlow
Journal of Materials Chemistry A 8 (43), 22840-22857, 2020
122020
Real and Virtual Polymorphism of Titanium Selenide with Robust Interatomic Potentials
D Mora-Fonz, JC Schön, J Prehl, SM Woodley, CRA Catlow, A Shluger, ...
Journal of Materials Chemistry A 8 (28), 14054-14061, 2020
102020
Heterostructures of GaN with SiC and ZnO enhance carrier stability and separation in framework semiconductors
MR Farrow, J Buckeridge, T Lazauskas, D Mora‐Fonz, DO Scanlon, ...
physica status solidi (a) 214 (4), 1600440, 2017
82017
Inverse perovskite oxysilicides and oxygermanides as candidates for nontoxic infrared semiconductor and their chemical bonding nature
N Ohashi, D Mora-Fonz, S Otani, T Ohgaki, M Miyakawa, A Shluger
Inorganic Chemistry 59 (24), 18305-18313, 2020
62020
A Theoretical Study on the Surfaces of Zinc Oxide
DP Mora Fonz
UCL (University College London), 2016
32016
Unique Atomic and Electronic Structures of Oxygen Vacancies in Amorphous SnO2 from First Principles and Informatics
S Kiyohara, D Mora-Fonz, A Shluger, Y Kumagai, F Oba
The Journal of Physical Chemistry C 126 (44), 18833-18838, 2022
12022
Structure and Migration Mechanisms of Small Vacancy Clusters in Cu: A Combined EAM and DFT Study
V Fotopoulos, D Mora-Fonz, M Kleinbichler, R Bodlos, E Kozeschnik, ...
Nanomaterials 13 (9), 1464, 2023
2023
Special issue CATTOD:“Selected contributions to advanced catalytic materials in the frame of International Materials Research Congress 2019-20”
M Ramos, JM Domínguez, B Torres, D Mora-Fonz
Catalysis Today 392, 1-2, 2022
2022
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Articles 1–18