异质结电荷转移的密度矩阵理论近似研究

发布时间：2018-03-02 13:51

本文选题：金属纳米粒子　切入点：等离激元效应　出处：《物理学报》2014年13期 　论文类型：期刊论文

【摘要】：分子半导体组成的异质结构是染料敏化太阳能电池的主要部分,电荷转移效率的提高是太阳能转换效率的关键.在金属纳米粒子与染料分子和半导体TiO2组成的系统中,考虑半导体的晶格结构、电子波函数在晶格边界的反射及金属纳米粒子中的等离激元效应,应用密度矩阵理论研究在光激发分子作用下电荷从分子转移到半导体晶格的动力学过程,采用密度矩阵和波函数相结合的处理方案研究了分子半导体电荷转移过程中的等离激元效应.研究发现金属钠米粒子激发所产生的等离激元可以使电荷从分子到半导体的转移效率提高3个数量级,是提高电荷转移效率的有效手段,且密度矩阵理论与波函数相结合的方法使得计算分子与15 nm尺度的半导体纳米晶体间的电荷转移成为可能,理论分析了表面等离激元的增益作用对电荷转移的影响.
[Abstract]:The heterostructure of molecular semiconductors is the main part of dye sensitized solar cells, and the improvement of charge transfer efficiency is the key to the conversion efficiency of solar energy. Considering the lattice structure of semiconductors, the reflection of electron wave function at lattice boundary and the effect of equipoliton in metal nanoparticles, The density matrix theory is used to study the kinetic process of charge transfer from molecule to semiconductor lattice under the action of photoexcited molecules. Using the combination of density matrix and wave function, the isopuriton effect in the charge transfer process of molecular semiconductors is studied. It is found that the isoexcitators generated by the excitation of metal sodium particles can make the charge transfer from molecule to molecule. The transfer efficiency of semiconductors is increased by three orders of magnitude. Density matrix theory and wave function make it possible to calculate the charge transfer between molecules and 15nm semiconductor nanocrystals. The effect of the gain of the surface isotherm on the charge transfer is theoretically analyzed.
【作者单位】：北京科技大学数理学院物理系;
【基金】：国家自然科学基金(批准号:11174029) 中央高校基本科研业务费资助的课题~~
【分类号】：TB383.1;TM914.4

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