Photochemical CO<sub>2</sub> conversion on pristine and Mg-doped gallium nitride (GaN): a comprehensive DFT study based on a cluster model approach
Valeria Butera, Hermann Detz
Abstract
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.
Topics & Concepts
Gallium nitrideGalliumMaterials scienceDopingPhotocatalysisPhotochemistryMethanolCluster (spacecraft)Carbon nitrideNitrideInorganic chemistryOptoelectronicsNanotechnologyChemistryCatalysisMetallurgyOrganic chemistryComputer scienceProgramming languageLayer (electronics)Advanced Photocatalysis TechniquesGa2O3 and related materialsCatalytic Processes in Materials Science