Georgiev V. P.

Device Modelling Group James Watt School of Engineering, University of Glasgow, Glasgow, United Kingdom


NM03–Electronic and Optical Properties of Hydrogen-Terminated Diamond Doped by Molybdenum Oxide: A Density Functional Theory Study

McGhee J., Georgiev V. P.

In this work we investigate the surface transfer doping process induced between a hydrogen-terminated (100) diamond and a metal oxide MoO3, using the Density Functional Theory (DFT) method. Using DFT, we have calculated the electronic and optical properties of the hydrogen-terminated diamond and established a link between the underlying electronic structure and the charge transfer […]