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Publications 2010
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Conductivity Limits in CuAlO2 from Screened-Hybrid Density Functional Theory
Scanlon D.O. and Watson G.W.
Journal of Physical Chemistry Letters 1, 3195-3199 (2010)
DOI: 10.1021/jz1011725
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Electronic Energy Changes Associated with Guanine Quadruplex Formation: An Investigation at the Atomic Level
Taylor A., Taylor J., Watson G.W. and Boyd R.J.
Journal of Physical Chemistry B 114, 9833-9839 (2010)
DOI: 10.1021/jp912013k
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Electronic structure of mixed-valence silver oxide AgO from hybrid density-functional theory
Allen J.P., Scanlon D.O. and Watson G.W.
Physical Review B 81, 161103 (2010)
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Stability, geometry, and electronic structure of an alternative I-III-VI2 material, CuScS2: A hybrid density functional theory analysis
Scanlon D.O. and Watson G.W.
Applied Physics Letters 97, 3491179 (2010)
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Theoretical and Experimental Study of the Electronic Structures of MoO3 and MoO2
Scanlon D.O., Watson, G.W., Payne D.J., Atkinson G.R., Egdell R.G. and Law D.S.L.
Journal of Physical Chemistry C 114, 4636-4645 (2010)
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Undoped n-Type Cu2O: Fact or Fiction?
Scanlon, D.O. and Watson, G.W.
Journal of Physical Chemistry Letters 1, 2582-2585 (2010)
DOI: 10.1021/jz100962n
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Intrinsic n-type Defect Formation in TiO2: A Comparison of Rutile and Anatase from GGA+U Calculations
Morgan, B.J. and Watson G.W.
Journal of Physical Chemistry C 114, 2321-2328 (2010)
DOI: 10.1021/jp9088047
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Understanding conductivity in SrCu2O2: stability, geometry and electronic structure of intrinsic defects from first principles
Godinho K.G., Carey J.J., Morgan B.J. Scanlon D.O. and Watson G.W.
Journal of Materials Chemistry 20, 1086-1096 (2010)
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Understanding conductivity anomalies in CuI-based delafossite transparent conducting oxides: Theoretical insights
Scanlon D.O., Godinho K.G., Morgan B.J. and Watson G.W.
Journal of Chemical Physics 132, 024707 (2010)
Email: watsong AT tcd.ie
Last updated: Apr 22 2024
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