摘要
Two-dimensional(2D)semiconducting tin disulfide(SnS_(2))has been widely used for optoelectronic applications.To functionalize SnS_(2) for extending its application,we investigate the stability,electronic and magnetic properties of substitutional doping by high throughput first-principles calculations.There are a lot of elements that can be doped in monolayer SnS_(2).Nonmetal in group A can introduce p-type and n-type carriers,while most metals in group A can only lead to p-type doping.Not only 3d,but also 4d and 5d transition metals in groups VB to VⅢB9 can introduce magnetism in SnS_(2),which is potentially applicable for spintronics.This study provides a comprehensive view of functionalization of SnS_(2) by substitutional doping,which will guide further experimental realization.
作者
Qing Zhan
Xiaoguang Luo
Hao Zhang
Zhenxiao Zhang
Dongdong Liu
Yingchun Cheng
詹庆;罗小光;张皓;张振霄;刘冬冬;程迎春(Key Laboratory of Flexible Electronics&Institute of Advanced Materials,Jiangsu National Synergetic Innovation Center for Advanced Materials,Nanjing Tech University,Nanjing 211816,China;Frontiers Science Center for Flexible Electronics(FSCFE),Shaanxi Institute of Flexible Electronics(SIFE)&Shaanxi Institute of Biomedical Materials and Engineering(SIBME),Northwestern Polytechnical University(NPU),Xi’an 710129,China)
基金
Project supported by the National Natural Science Foundation of China(Grant No.91833302).
