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1

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., B

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 4.92 MB

english, 2014

2

Thermodynamically Accessible Titanium Clusters Ti N , N =2-32

Lazauskas, Tomas, Sokol, Alexey A, Buckeridge, John, Catlow, C. Richard A., Escher, Susanne Gudrun Elisabeth Thea, Farrow, Matthew R, Mora-Fonz, David, Blum, Volker, Phaahla, Tshegofatso, Chauke, Hasa

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 8.83 MB

english, 2018

3

Morphological Features and Band Bending at Nonpolar Surfaces of ZnO

Mora-Fonz, David, Buckeridge, John, Logsdail, Andrew J., Scanlon, David O., Sokol, Alexey A., Woodley, Scott, Catlow, C. Richard A.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 5.50 MB

english, 2015

4

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.

Journal:

Surface Science

Year:

2015

Language:

english

File:

PDF, 706 KB

english, 2015

5

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.

Journal:

physica status solidi (a)

Year:

2017

Language:

english

File:

PDF, 1.13 MB

english, 2017

6

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.

Journal:

Chemistry of Materials

Year:

2017

Language:

english

File:

PDF, 10.81 MB

english, 2017

7

Making amorphous ZnO: Theoretical predictions of its structure and stability

Mora-Fonz, David, Shluger, Alexander L.

Journal:

Physical Review B

Year:

2019

Language:

english

File:

PDF, 4.06 MB

english, 2019

8

Modeling of Intrinsic Electron and Hole Trapping in Crystalline and Amorphous ZnO

Mora‐Fonz, David, Shluger, Alexander L.

Journal:

Advanced Electronic Materials

Year:

2019

Language:

english

File:

PDF, 5.18 MB

english, 2019

9

Disorder-induced electron and hole trapping in amorphous

Mora-Fonz, David, Kaviani, Moloud, Shluger, Alexander L.

Journal:

Physical Review B

Year:

2020

File:

PDF, 2.09 MB

2020

10

Real and virtual polymorphism of titanium selenide with robust interatomic potentials

Mora-Fonz, David, SchÃ¶n, J. Christian, Prehl, Janett, Woodley, Scott M., Catlow, C. Richard A., Shluger, Alexander L., Sokol, Alexey A.

Journal:

Journal of Materials Chemistry A

Year:

2020

File:

PDF, 1.31 MB

2020

11

Morphology of Cu clusters supported on reconstructed polar ZnO (0001) and (0001Ì) surfaces

Higham, Michael D., Mora-Fonz, David, Sokol, Alexey A., Woodley, Scott M., Catlow, C. Richard A.

Journal:

Journal of Materials Chemistry A

Year:

2020

File:

PDF, 3.14 MB

2020