First principles calculations of the electronic configuration and photocatalytic performance of GaSe(Ga<sub>2</sub>SSe)/MoS<sub>2</sub>(MoSSe) heterojunctions
Lingxia Li, Junqiang Ren, Junchen Li, Xin Guo, Mao‐Cheng Liu, Xuefeng Lu
Abstract
The electronic structure and photocatalytic performance of GaSe/MoSSe and Ga 2 SSe/MoS 2 heterojunctions are systematically investigated by means of first-principles calculations.
Topics & Concepts
HeterojunctionMaterials sciencePhotocatalysisElectronic structureOptoelectronicsEngineering physicsCondensed matter physicsPhysicsCatalysisChemistryBiochemistry2D Materials and ApplicationsChalcogenide Semiconductor Thin FilmsHeusler alloys: electronic and magnetic properties