氯原子吸附对氧化铟锡001表面功函数的调制

摘要

采用第一性原理计算研究了氯原子吸附对氧化铟锡半导体表面功函数的调制作用,结果表明经过氯原子吸附后的氧化铟锡表面功函数随着氯原子覆盖度的增大而线性地增大。氯原子吸附导致氧化铟锡表面形成电偶极层,这一电偶极层提升了其表面真空势能从而导致功函数的提高。%The adsorption of chlorine atoms on ITO surface and the work-function modification has been investigated by fn＇st-principle calculations. Work function of ITO increases with the surface coverage of CI in linear way. A dipole layer formed on the surface is formed and it is the surface dipole that increases the surface potential energy and hence the work function.