Prediction model of type and band gap for photocatalytic g-GaN-based van der Waals heterojunction of density functional theory and machine learning techniques
Ziyue Zhao, Yang Shen, Hua Zhu, Qihao Zhang, Yijun Zhang, Xiaodong Yang, Pei Liang, Liang Chen
Topics & Concepts
HeterojunctionPhotocatalysisvan der Waals forceBand gapMaterials scienceElectronic band structureOptoelectronicsComputer scienceComputational physicsChemistryCatalysisCondensed matter physicsPhysicsQuantum mechanicsMoleculeBiochemistry2D Materials and ApplicationsAdvanced Photocatalysis TechniquesMXene and MAX Phase Materials