Browsing Chemistry (Scholarly Publications) by Author "ALLEN, JEREMY"
Now showing items 1-5 of 5
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Chemical bonding in copper-based transparent conducting oxides: CuMO(2) (M = In, Ga, Sc)
SCANLON, DAVID; ALLEN, JEREMY; WATSON, GRAEME WILLIAM; GODINHO, KATHERINE GITANJALI (Institute of Physics, 2011)The geometry and electronic structure of copper-based p-type delafossite transparent conducting oxides, CuMO(2) (M = In, Ga, Sc), are studied using the generalized gradient approximation (GGA) corrected for on-site Coulomb ... -
The electronic structure of the antimony chalcogenide series: Prospects for optoelectronic applications
WATSON, GRAEME; ALLEN, JEREMY (2014)In this study, density functional theory is used to evaluate the electronic structure of the antimony chalcogenide series. Analysis of the electronic density of states and charge density shows that asymmetric density, or ... -
Electronic structures of silver oxides
WATSON, GRAEME; ALLEN, JEREMY; SCANLON, DAVID (2011)The oxides of silver have a number of important technological applications, including use in battery technology, catalysis, and in the treatment of dermatological conditions. However, only the Ag2O phase has been well ...