Heterostructures stacked with X<sub>2</sub>SY (X = In, Ga; Y = Se, Te) and g-C<sub>2</sub>N monolayers for high power conversion efficiency solar cells: insight from electronic properties and nonadiabatic dynamics
Xue‐Qing Wan, Chuan‐Lu Yang, Xiaohu Li, Yuliang Liu, Wenkai Zhao
Abstract
A g-C 2 N/In 2 STe heterostructure with high power conversion efficiency (10.01%) and carrier utilization efficiency was screened from 114 different configurations based on its electronic properties and nonadiabatic molecular dynamics.
Topics & Concepts
HeterojunctionEnergy conversion efficiencyMonolayerMaterials scienceOptoelectronicsElectronic structureNanotechnologyPhysicsCondensed matter physics2D Materials and ApplicationsPerovskite Materials and ApplicationsMXene and MAX Phase Materials