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Dr Aron Walsh

Moved to: University of Bath (April 11)

New Email: ...

Old Room: 355

Old Email: A.Walsh

First Degree obtained from Trinity College, Dublin
Second Degree obtained from Trinity College, Dublin

Number of publications before leaving us: 66 ^*
(^*sourced from ResearcherID.com)

Publications in 2011

1. Title: Control of the band-gap states of metal oxides by the application of epitaxial strain: The case of indium oxide
Author(s): Walsh, A; Catlow, CRA; Zhang, KHL, et al.
Source: PHYSICAL REVIEW B Volume: 83 Issue: 16 Article Number: 161202 Published: 2011

2. Title: Potential energy landscapes for anion Frenkel-pair formation in ceria and india
Author(s): Walsh, A; Woodley, SM; Catlow, CRA, et al.
Conference Information: EMRS Symposium on Solid State Ionics - Exploring Chemical and Structural Complexity of Novel Ion Conductors, Date: JUN 07-10, 2010 Strasbourg FRANCE
Source: SOLID STATE IONICS Volume: 184 Issue: 1 Pages: 52-56 Published: 2011

3. Title: Microscopic origins of electron and hole stability in ZnO
Author(s): Catlow, CRA; Sokol, AA; Walsh, A
Source: CHEMICAL COMMUNICATIONS Volume: 47 Issue: 12 Pages: 3386-3388 Published: 2011

4. Title: Compositional dependence of structural and electronic properties of Cu2ZnSn(S,Se)(4) alloys for thin film solar cells
Author(s): Chen, SY; Walsh, A; Yang, JH, et al.
Source: PHYSICAL REVIEW B Volume: 83 Issue: 12 Article Number: 125201 Published: 2011

Publications in 2010

1. Title: Wurtzite-derived polytypes of kesterite and stannite quaternary chalcogenide semiconductors
Author(s): Chen, SY; Walsh, A; Luo, Y, et al.
Source: PHYSICAL REVIEW B Volume: 82 Issue: 19 Article Number: 195203 Published: 2010

2. Title: Structure, stability and work functions of the low index surfaces of pure indium oxide and Sn-doped indium oxide (ITO) from density functional theory
Author(s): Walsh, A; Catlow, CRA
Source: JOURNAL OF MATERIALS CHEMISTRY Volume: 20 Issue: 46 Pages: 10438-10444 Published: 2010

3. Title: Advances in computational studies of energy materials
Author(s): CATLOW, CRA; GUO, ZX; MISKUFOVA, M; et al.
Source: Philosophical Transactions of the Royal Society a-Mathematical Physical and Engineering Sciences Volume: 368 Issue: 1923 Pages: 3379-3456 Published: JUL 28 2010

4. Title: Defect physics of the kesterite thin-film solar cell absorber Cu2ZnSnS4
Author(s): CHEN, SY; GONG, XG; WALSH, A; et al.
Source: APPLIED PHYSICS LETTERS Volume: 96 Issue: 2 Published: JAN 11 2010

5. Title: Defect Processes in a PbS Metal Organic Framework: A Quantum-Confined Hybrid Semiconductor
Author(s): WALSH, A
Source: JOURNAL OF PHYSICAL CHEMISTRY LETTERS Volume: 1 Issue: 8 Pages: 1284-1287 Published: APR 15 2010

6. Title: Electrodeposited Aluminum-Doped alpha-Fe2O3 Photoelectrodes: Experiment and Theory
Author(s): KLEIMAN-SHWARSCTEIN, A; HUDA, MN; WALSH, A; et al.
Source: CHEMISTRY OF MATERIALS Volume: 22 Issue: 2 Pages: 510-517 Published: JAN 26 2010

7. Title: Electronic structure of In2O3 and Sn-doped In2O3 by hard x-ray photoemission spectroscopy
Author(s): KORBER, C; KRISHNAKUMAR, V; KLEIN, A; et al.
Source: Physical Review B Volume: 81 Issue: 16 Published: APR 15 2010

8. Title: Electronic, structural, and magnetic effects of 3d transition metals in hematite
Author(s): HUDA, MN; WALSH, A; YAN, YF; et al.
Source: Journal of Applied Physics Volume: 107 Issue: 12
Published: JUN 15 2010

9. Title: Evolutionary structure prediction and electronic properties of indium oxide nanoclusters
Author(s): WALSH, A; WOODLEY, SM
Source: Physical Chemistry Chemical Physics Volume: 12 Issue: 30 Pages: 8446-8453 Published: 2010

10. Title: Experimental and density-functional study of the electronic structure of In4Sn3O12
Author(s): O'NEIL, DH; WALSH, A; JACOBS, RMJ; et al.
Source: PHYSICAL REVIEW B Volume: 81 Issue: 8 Published: FEB 2010

11. Title: Intrinsic point defects and complexes in the quaternary kesterite semiconductor Cu2ZnSnS4
Author(s): CHEN, SY; YANG, JH; GONG, XG; et al.
Source: Physical Review B Volume: 81 Issue: 24 Published: JUN 8 2010

12. Title: On the problem of cluster structure diversity and the value of data mining
Author(s): SOKOL, AA; CATLOW, CRA; MISKUFOVA, M; et al.
Source: Physical Chemistry Chemical Physics Volume: 12 Issue: 30 Pages: 8438-8445 Published: 2010

13. Title: Origin of antiferromagnetism in CoO: A density functional theory study
Author(s): DENG, HX; LI, JB; LI, SS; et al.
Source: APPLIED PHYSICS LETTERS Volume: 96 Issue: 16 Published: APR 19 2010

14. Title: Oxygen interstitial structures in close-packed metal oxides
Author(s): SOKOL, AA; WALSH, A; CATLOW, CRA
Source: Chemical Physics Letters Volume: 492 Issue: 1-3 Pages: 44-48 Published: MAY 26 2010

15. Title: Photostimulated Reduction Processes in a Titania Hybrid Metal-Organic Framework
Author(s): Walsh, A; Catlow, CRA
Source: Chemphyschem Volume: 11 Issue: 11 Pages: 2341-2344 Published: AUG 2 2010

16. Title: Surface Energies Control the Self-Organization of Oriented In2O3 Nanostructures on Cubic Zirconia
Author(s): Zhang, KHL; Walsh, A; Catlow, CRA; et al.
Source: Nano Letters Volume: 10 Issue: 9 Pages: 3740-3746 Published: SEP 2010

Publications in 2009

1. Title: Acceptor Levels in p-Type Cu2O: Rationalizing Theory and Experiment
Author(s): SCANLON, DO; MORGAN, BJ; WATSON, GW; et al.
Source: PHYSICAL REVIEW LETTERS Volume: 103 Issue: 9 Published: AUG 28 2009
DOI: 10.1103/PhysRevLett.103.096405

2. Title: Atomistic origins of the phase transition mechanism in Ge2Sb2Te5
Author(s): DA SILVA, JLF; WALSH, A; WEI, SH; et al.
Source: JOURNAL OF APPLIED PHYSICS Volume: 106 Issue: 11 Published: DEC 1 2009
DOI: 10.1063/1.3264883

3. Title: Band Edge Electronic Structure of BiVO4: Elucidating the Role of the Bi s and V d Orbitals
Author(s): WALSH, A; YAN, Y; HUDA, MN; et al.
Source: CHEMISTRY OF MATERIALS Volume: 21 Issue: 3 Pages: 547-551 Published: FEB 10 2009
DOI: 10.1021/cm802894z

4. Title: Comment on "Theoretical Description of Carrier Mediated Magnetism in Cobalt Doped ZnO'' Reply
Author(s): WALSH, A; DA SILVA, JLF; WEI, SH
Source: PHYSICAL REVIEW LETTERS Volume: 102 Issue: 15 Published: APR 17 2009
DOI: 10.1103/PhysRevLett.102.159702

5. Title: Crystal and electronic band structure of Cu2ZnSnX4 (X=S and Se) photovoltaic absorbers: First-principles insights
Author(s): CHEN, SY; GONG, XG; WALSH, A; et al.
Source: APPLIED PHYSICS LETTERS Volume: 94 Issue: 4 Pages: - Published: JAN 26 2009
DOI: 10.1063/1.3074499

6. Title: DESIGN OF QUATERNARY CHALCOGENIDE PHOTOVOLTAIC ABSORBERS THROUGH CATION MUTATION
Author(s): WALSH, A; WEI, SH; CHEN, SY; et al.
Source: 2009 34th Ieee Photovoltaic Specialists Conference, Vols 1-3 Pages: 1803-1806 Published: 2009

7. Title: Effect of Cr substitution on the electronic structure of CuAl1-xCrxO2
Author(s): SCANLON, DO; WALSH, A; MORGAN, BJ; et al.
Source: PHYSICAL REVIEW B Volume: 79 Issue: 3 Pages: - Published: JAN 2009
DOI: 10.1103/PhysRevB.79.035101

8. Title: Electronic structure and phase stability of MgTe, ZnTe, CdTe, and their alloys in the B3, B4, and B8 structures
Author(s): YANG, JH; CHEN, SY; YIN, WJ; et al.
Source: PHYSICAL REVIEW B Volume: 79 Issue: 24 Published: JUN 2009
DOI: 10.1103/PhysRevB.79.245202

9. Title: Electronic structure and stability of quaternary chalcogenide semiconductors derived from cation cross-substitution of II-VI and I-III-VI2 compounds
Author(s): CHEN, SY; GONG, XG; WALSH, A; et al.
Source: PHYSICAL REVIEW B Volume: 79 Issue: 16 Published: APR 2009
DOI: 10.1103/PhysRevB.79.165211

10. Title: Energetic and Electronic Structure Analysis of Intrinsic Defects in SnO2
Author(s): GODINHO, KG; WALSH, A; WATSON, GW
Source: JOURNAL OF PHYSICAL CHEMISTRY C Volume: 113 Issue: 1 Pages: 439-448 Published: JAN 8 2009
DOI: 10.1021/jp807753t

11. Title: Group-IIIA versus IIIB delafossites: Electronic structure study
Author(s): HUDA, MN; YAN, YF; WALSH, A; et al.
Source: PHYSICAL REVIEW B Volume: 80 Issue: 3 Published: JUL 2009
DOI: 10.1103/PhysRevB.80.035205

12. Title: Interplay between Order and Disorder in the High Performance of Amorphous Transparent Conducting Oxides
Author(s): WALSH, A; DA SILVA, JLF; WEI, SH
Source: CHEMISTRY OF MATERIALS Volume: 21 Issue: 21 Pages: 5119-5124 Published: NOV 10 2009
DOI: 10.1021/cm9020113

13. Title: Origin of electronic and optical trends in ternary In2O3(ZnO)(n) transparent conducting oxides (n=1,3,5): Hybrid density functional theory calculations
Author(s): WALSH, A; DA SILVA, JLF; YAN, YF; et al.
Source: PHYSICAL REVIEW B Volume: 79 Issue: 7 Pages: - Published: FEB 2009
DOI: 10.1103/PhysRevB.79.073105

14. Title: Physical Properties, Intrinsic Defects, and Phase Stability of Indium Sesquioxide
Author(s): WALSH, A; CATLOW, CRA; SOKOL, AA; et al.
Source: CHEMISTRY OF MATERIALS Volume: 21 Issue: 20 Pages: 4962-4969 Published: OCT 27 2009
DOI: 10.1021/cm902280z

15. Title: Quaternary semiconductors with positive crystal field splitting: Potential high-efficiency spin-polarized electron sources
Author(s): CHEN, SY; YIN, WJ; YANG, JH; et al.
Source: APPLIED PHYSICS LETTERS Volume: 95 Issue: 5 Published: AUG 3 2009
DOI: 10.1063/1.3193662

16. Title: Revised ab initio natural band offsets of all group IV, II-VI, and III-V semiconductors
Author(s): LI, YH; WALSH, A; CHEN, SY; et al.
Source: APPLIED PHYSICS LETTERS Volume: 94 Issue: 21 Published: MAY 25 2009
DOI: 10.1063/1.3143626

17. Title: STRUCTURAL, ELECTRONIC, AND OPTICAL PROPERTIES OF THE IN2O3(ZNO)(N) SYSTEM
Author(s): YAN, YF; WALSH, A; DA SILVA, JLF; et al.
Source: 2009 34th Ieee Photovoltaic Specialists Conference, Vols 1-3 Pages: 2234-2236 Published: 2009

18. Title: Symmetry-breaking-induced enhancement of visible light absorption in delafossite alloys
Author(s): HUDA, MN; YAN, YF; WALSH, A; et al.
Source: APPLIED PHYSICS LETTERS Volume: 94 Issue: 25 Published: JUN 22 2009
DOI: 10.1063/1.3157840

19. Title: Ternary cobalt spinel oxides for solar driven hydrogen production: Theory and experiment
Author(s): WALSH, A; AHN, KS; SHET, S; et al.
Source: ENERGY & ENVIRONMENTAL SCIENCE Volume: 2 Issue: 7 Pages: 774-782 Published: 2009
DOI: 10.1039/b822903a

20. Title: Theoretical investigation of atomic and electronic structures of Ga2O3(ZnO)(6)
Author(s): DA SILVA, JLF; WALSH, A; WEI, SH
Source: PHYSICAL REVIEW B Volume: 80 Issue: 21 Published: DEC 2009
DOI: 10.1103/PhysRevB.80.214118

21. Title: Understanding the p-Type Conduction Properties of the Transparent Conducting Oxide CuBO2: A Density Functional Theory Analysis
Author(s): SCANLON, DO; WALSH, A; WATSON, GW
Source: CHEMISTRY OF MATERIALS Volume: 21 Issue: 19 Pages: 4568-4576 Published: OCT 13 2009
DOI: 10.1021/cm9015113

22. Title: X-ray spectroscopic study of the electronic structure of CuCrO2
Author(s): ARNOLD, T; PAYNE, DJ; BOURLANGE, A; et al.
Source: PHYSICAL REVIEW B Volume: 79 Issue: 7 Pages: - Published: FEB 2009
DOI: 10.1103/PhysRevB.79.075102

Publications in 2008

1. Title: Nature of the band gap of In2O3 revealed by first-principles calculations and x-ray spectroscopy
Author(s): Walsh, A; Da Silva, JLF; Wei, SH; et al.
Source: PHYSICAL REVIEW LETTERS Volume: 100 Issue: 16 Published: 2008

2. Title: A comparative study of the electronic structures of SrCu2O2 and PbCu2O2 by density functional theory, high resolution X-ray photoemission and electron paramagnetic resonance spectroscopy
Author(s): Godinho, KG; Watson, GW; Walsh, A; et al.
Source: JOURNAL OF MATERIALS CHEMISTRY Volume: 18 Issue: 24 Pages: 2798-2806 Published: 2008

3. Title: An ab initio study of reduction of V2O5 through the formation of oxygen vacancies and Li intercalation
Author(s): Scanlon, DO; Walsh, A; Morgan, BJ; et al.
Source: JOURNAL OF PHYSICAL CHEMISTRY C Volume: 112 Issue: 26 Pages: 9903-9911 Published: 2008

4. Title: Theoretical description of carrier mediated magnetism in cobalt doped ZnO
Author(s): Walsh, A; Da Silva, JLF; Wei, SH
Source: PHYSICAL REVIEW LETTERS Volume: 100 Issue: 25 Published: 2008

5. Title: Filling the green gap: A first-principles study of the LiMg1-xZnxN alloy
Author(s): Walsh, A; Wei, SH Editor(s): Palacios, T; Jena, D
Source: PHYSICA STATUS SOLIDI C - CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 5, NO 6 Volume: 5 Issue: 6 Pages: 2326-2328 Published: 2008 Conference Title: 7th International Conference on Nitride Semiconductors (ICNS-7) Conference Date: SEP 16-21, 2007 Conference Location: Las Vegas, NV

6. Title: Electronic structure and phase stability of MgO, ZnO, CdO, and related ternary alloys
Author(s): Zhu, YZ; Chen, GD; Ye, HG; et al.
Source: PHYSICAL REVIEW B Volume: 77 Issue: 24 Published: 2008

7. Title: Electronic, energetic, and chemical effects of intrinsic defects and Fe-doping of CoAl2O4: A DFT+U study
Author(s): Walsh, A; Yan, YF; Al-Jassim, MM; et al.
Source: JOURNAL OF PHYSICAL CHEMISTRY C Volume: 112 Issue: 31 Pages: 12044-12050 Published: 2008

8. Title: Origins of band-gap renormalization in degenerately doped semiconductors
Author(s): Walsh, A; Da Silva, JLF; Wei, SH
Source: PHYSICAL REVIEW B Volume: 78 Issue: 7 Published: 2008

9. Title: Insights into the structure of the stable and metastable (GeTe)(m)(Sb2Te3)(n) compounds
Author(s): Da Silva, JLF; Walsh, A; Lee, HL
Source: PHYSICAL REVIEW B Volume: 78 Issue: 22 Published: 2008

Materials Chemistry

@ The Kathleen Lonsdale Building

Dr Aron Walsh