Publications

Submitted

Published/Accepted

  1. David Mora-Fonz and Alexander L. Shluger. “Making Amorphous ZnO: Theoretical Predictions of its Structure and Stability”, Physical Review B 99, 014202 (2019), doi: 10.1103/PhysRevB.99.014202 
  2. Qing Hou, John Buckeridge, Tomas Lazauskas, David Mora-Fonz, Alexey Sokol, Scott M. Woodley, and C. Richard A. Catlow. “Defect Formation in In2Oand SnO2: A New Atomistic Approach Based on Accurate Lattice Energies”, Journal of Materials Chemistry C 6, 12386-12395 (2018), doi: 10.1039/C8TC04760J
  3. Tomas Lazauskas, Alexey Sokol, John Buckeridge, C. Richard A. Catlow, Susanne Escher, Matthew  Farrow, David Mora-Fonz, Volker Blum, Tshegofatso Phaahla, Hasani Chauke, P Ngoepe, and Scott M. Woodley. “Thermodynamically Accessible Titanium Clusters TiN, N = 2-32″, Physical Chemistry Chemical Physics 20, 13962-13973 (2018),  doi: 10.1039/C8CP00406D
  4. David Mora-Fonz, Tomas Lazauskas, Scott M. Woodley, Stefan T. Bromley, C. Richard A. Catlow, and Alexey A. Sokol. “Development of Interatomic Potentials for Supported Nanoparticles: The Cu/ZnO Case”, Journal of Physical Chemistry C 121, 16831−16844 (2017), doi: 10.1021/acs.jpcc.7b04502
  5. David Mora-Fonz, Tomas Lazauskas, Matthew R. Farrow, C. Richard A. Catlow, Scott M. Woodley, and Alexey A. Sokol. “Why Are Polar Surfaces of ZnO Stable?”, Chemistry of Materials 29, 5306–5320 (2017), doi: 10.1021/acs.chemmater.7b01487 
  6. Matthew R. Farrow, John Buckeridge, Tomas Lazauskas, David Mora-Fonz, David O. Scanlon, C. Richard A. Catlow, Scott M. Woodley, and Alexey A. Sokol. “Heterostructures of GaN with SiC and ZnO enhance carrier stability and separation in framework semiconductors”, Physica Status Solidi A 214, 1600440 1-7 (2017),  doi: 10.1002/pssa.201600440
  7. Andrew J. Logsdail, David Mora-Fonz, David O. Scanlon, C. Richard A. Catlow, and Alexey A. Sokol. “Structural, Energetic and Electronic Properties of (100) Surfaces for Alkaline Earth Metal Oxides as Calculated with Hybrid Density Functional Theory”, Surface Science 642, 58-65 (2015), doi: 10.1016/j.susc.2015.06.012.
  8. David Mora-Fonz, John Buckeridge, Andrew J. Logsdail, David O. Scanlon, Alexey A Sokol, Scott M. Woodley, and C. Richard A. Catlow. “Morphological Features and Band Bending at Non-Polar Surfaces of ZnO”. Journal of Physical Chemistry C 119, 11598-11611 (2015), doi: 10.1021/acs.jpcc.5b01331.
  9. Catherine Brookes, Peter P. Wells, Nikolaos Dimitratos, Wilm Jones, Emma K. Gibson, David John Morgan, Giannantonio Cibin, Chris Nicklin, David Mora-Fonz, David O. Scanlon, C. Richard A. Catlow, and Mike Bowker. “The Nature of the Molybdenum Surface in Iron Molybdate. The Active Phase in Selective Methanol Oxidation”, Journal of Physical Chemistry C 118, 26155-26161 (2014), doi: 10.1021/jp5081753.