Microscopic theory of single-electron tunneling through molecular-assembled metallic nanoparticles
Microscopic theory of single-electron tunneling through molecular-assembled metallic nanoparticles
复制标题
通过分子组装金属纳米粒子的单电子隧道微观理论
DOI：
10.1103/physrevb.68.235410
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发表时间：
2003
影响因子：
3.7
通讯作者：
M. Ratner
中科院分区：
文献类型：
--
作者：
Yongqiang Xue;M. Ratner
我们提出了一个微观理论的单电子隧穿通过金属纳米粒子连接到电极通过分子桥。它结合了通过分子结的电子传输理论与纳米颗粒上的充电动力学的描述。我们应用该理论研究单电子隧穿通过金纳米颗粒连接到金电极通过两个代表性的苯为基础的分子。我们采用基于第一性原理的非平衡绿色函数理论计算了纳米粒子与连接分子之间的电荷转移引起的纳米粒子上的背景电荷、分子结的电容和电阻。我们证明了各种各样的传输特性，可以通过“工程”的金属分子相互作用。
We present a microscopic theory of single-electron tunneling through metallic nanoparticles connected to the electrodes through molecular bridges. It combines the theory of electron transport through molecular junctions with the description of the charging dynamics on the nanoparticles. We apply the theory to study single-electron tunneling through a gold nanoparticle connected to the gold electrodes through two representative benzene-based molecules. We calculate the background charge on the nanoparticle induced by the charge transfer between the nanoparticle and linker molecules, the capacitance and resistance of molecular junction using a first-principles based nonequilibrium Green's-function theory. We demonstrate the variety of transport characteristics that can be achieved through ``engineering'' of the metal-molecule interaction.
影响因子：
4
作者：
Ohgi, T;Sheng, HY;Fujita, D
通讯作者：
Fujita, D