Tuning of the electronic, photocatalytic and optical properties of Janus XWAZ<sub>2</sub> (X = S, Se, Te; A = Si, Ge; Z = N, P, As) monolayers <i>via</i> strain and external electric field
Zhen Gao, Xin He, Yao He, Kai Xiong
Abstract
Explored the effects of biaxial strain and applied electric field on the electronic, optical, and photocatalytic properties of XWAZ 2 monolayers using density functional theory based on first principles.
Topics & Concepts
MonolayerPhotocatalysisJanusDensity functional theoryStrain (injury)Materials scienceElectric fieldCondensed matter physicsCatalysisNanotechnologyOptoelectronicsChemistryComputational chemistryPhysicsMedicineBiochemistryInternal medicineQuantum mechanics2D Materials and ApplicationsMXene and MAX Phase MaterialsQuantum Dots Synthesis And Properties