Open AccessPhotochemical CO2 conversion on pristine and Mg-doped gallium nitride (GaN): a comprehensive DFT study based on a cluster model approach
Author(s) -
Valeria Butera,
Hermann Detz
Publication year - 2021
Publication title -
materials chemistry frontiers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.857
H-Index - 46
ISSN - 2052-1537
DOI - 10.1039/d1qm01118a
Subject(s) - gallium nitride , materials science , gallium , doping , photocatalysis , methanol , photochemistry , cluster (spacecraft) , nitride , carbon nitride , inorganic chemistry , optoelectronics , nanotechnology , chemistry , catalysis , metallurgy , organic chemistry , layer (electronics) , computer science , programming language
Photochemical reduction of carbon dioxide into methanol on bare and Mg-doped gallium nitrides. A detailed DFT study to shed light on the photocatalytic activity of this promising material.