欢迎您！东篱公司
退出
-
申报数据库
-
立项数据库
-
成果数据库
-
项目获奖数据库
中文摘要：
利用第一性原理方法,本文计算了B/N单掺杂SiNWs,以及含有表面悬挂键的B/N单掺杂硅纳米线的总能和电子结构,计算结果表明,悬挂键的出现会导致单原子掺杂失效.能带结构分析表明,B/N掺杂的H钝化的SiNWs表现出正常的p/n特性,而表面悬挂键（dangling binding,DB）的存在会导致P型（B原子）或者n型（N原子）掺杂失效;其失效的原因主要是因为表面悬挂键所引入的缺陷能级俘获了n型杂质（p型杂质）所带来的电子（空穴）;利用小分子（SO_2）吸附饱和悬挂键可以起到激活杂质的作用,进而实现Si纳米线的有效掺杂.
英文摘要：
First-principles calculations are employed to investigate total energies and electronic structures of the B/N doped silicon nanowires,the B/N doped silicon nanowires with and without dangling bond（DB）.And the calculation indicates that the DB would lead to the doping failure.Band-structure calculations indicate that B/N doped silicon nanowires without dangling bond show regular p/n type of the charge carrier,while the dangling bond would cause signal atom doping failure,which is not due to the transfer of electrons, but results from the capturing of the electron（hole） by the defect energy level induced by the surface dangling bond.Moreover, the small molecule adsorption can reactivate impurities doping p/n characteristics.The reactivation mechanism is not the transfer of the electrons,thus it can hold the doping characteristics.
同期刊论文项目
同项目期刊论文
The half metallic property and electronic structure of the Ti doped AlP systems investigated by firs
Strong Energy-Transfer-Induced Enhancement of Luminescence Efficiency of Eu2+- and Mn2+-Codoped Gamm
Enhanced Luminescence in the SrMgAl10O17: Eu2+Blue Phosphor Prepared by a Hybrid Urea-Sol Combustion
Europium(II)-activated oxonitridosilicate yellow phosphor with excellent quantum efficiency and ther
Validity of scalar diffraction theory and effective medium theory for analysis of a blazed grating m
Structure, Luminescence, and Application of a Robust Carbidonitride Blue Phosphor (Al1-xSixCxN1-x:Eu
Blue-Emitting Sr3Si8-xAlxO7+xN8-x:Eu2+Discovered by a Single-Particle-Diagnosis Approach: Crystal St
Two-dimensional silicene nucleation on a Ag(111) surface: structural evolution and the role of surfa
Role of Chemical Potential in Tuning Equilibrium Crystal Shape and Electronic Properties of Wurtzite
Research on the Substrates of Surface Enhanced Raman Scattering (SERS) and Their Applications to Bio
First-Principles Study on the Synergistic Mechanism of SnO2 and Graphene As a Lithium Ion Battery An
期刊信息
位置：