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Author
WATSON, GRAEME (6)
SCANLON, DAVID (4)
Subject
DFT (4)
copper oxide (2)
DFT+U (2)
Physical chemistry (2)
Atomic, molecular and chemical physics (1)
CuCrO2 (1)
defect formation energy (1)
Defects (1)
Delafossite (1)
Electrons (1)
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Date Issued
2009 (5)
2006 (1)
Sponsor
Science Foundation Ireland (SFI) (5)
Higher Education Authority (HEA) (1)
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Comparative study of bandwidths in copper delafossites from x-ray emission spectroscopy
WATSON, GRAEME
;
SCANLON, DAVID
(
2009
)
Polaronic trapping of electrons and holes by native defects in anatase TiO2
WATSON, GRAEME
(
2009
)
Hole localization in Al doped silica: A DFT+U description
WATSON, GRAEME
(
2006
)
Understanding the p-Type Conduction Properties of the Transparent Conducting Oxide CuBO2: A Density Functional Theory Analysis
WATSON, GRAEME
;
SCANLON, DAVID
(
2009
)
Modeling the polaronic nature of p-type defects in Cu2O: The failure of GGA and GGA plus U
WATSON, GRAEME
;
SCANLON, DAVID
(
2009
)
Acceptor Levels in p-Type Cu2O: Rationalizing Theory and Experiment
WATSON, GRAEME
;
SCANLON, DAVID
(
2009
)