Abstract
Recently,the newly synthesized septuple-atomic layer two-dimensional(2D)material MoSi2N4(MSN)has attracted attention worldwide.Our work delves into the effect of vacancies and external electric fields on the electronic properties of the MSN/graphene(Gr)heterostructure using first-principles calculation.We find that four types of defective structures,N-in,N-out,Si and Mo vacancy defects of monolayer MSN and MSN/Gr heterostructure are stable in air.Moreover,vacancy defects can effectively modulate the charge transfer at the interface of the MSN/Gr heterostructure as well as the work function of the pristine monolayer MSN and MSN/Gr heterostructure.Finally,the application of an external electric field enables the dynamic switching between n-type and p-type Schottky contacts.Our work may offer the possibility of exceeding the capabilities of conventional Schottky diodes based on MSN/Gr heterostructures.
基金项目
Industry and Education Combination Innovation Platform of Intelligent Manufacturing and Graduate Joint Training Base at Guiz(2020-520000-83-01-324061)
国家自然科学基金(61264004)
High-level Creative Talent Training Program in Guizhou Province of China([2015]4015)
维普
万方数据