Photochemical CO2 conversion on pristine and Mg-doped gallium nitride (GaN): a comprehensive DFT study based on a cluster model approach | Zendy

Valeria Butera | Zendy; Hermann Detz | Zendy

Open Access

Photochemical 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 , gallium , materials science , doping , photocatalysis , photochemistry , methanol , cluster (spacecraft) , carbon nitride , 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.

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