Charge Transport Through a Single Molecular Wire Based on Linear Multimetal Complexes: A Non-Equilibrium Green's Function Approach

Liang-Yan Hsu; Qian-Rui Huang; Bih-Yaw Jin

首页> 外文期刊>The journal of physical chemistry, C. Nanomaterials and interfaces >Charge Transport Through a Single Molecular Wire Based on Linear Multimetal Complexes: A Non-Equilibrium Green's Function Approach

【24h】

Charge Transport Through a Single Molecular Wire Based on Linear Multimetal Complexes: A Non-Equilibrium Green's Function Approach

机译：通过基于线性多金属络合物的单分子线进行电荷传输：一种非平衡格林函数方法

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

The Non-Equilibrium Green's Function method and the extended Huckel theory (the NEGF-EHT) are employed to study transmission functions and conductance of linear trimetal complexes, M3(μ3-dpa)4(NCS)2 (dpa = 2, 2'-dipyridylamide), M = Co, Ni, and Cr. The trend and orders of magnitude of the resulting conductance based on the independent electron approach are in good agreement with the experimental observations. Moreover, the effects of ligands on the conduction pathways of molecular wires are investigated comparatively by studying a family of hypothetical complexes coordinated with different ligands. We have found that one of the molecular orbitals consisting of the central d_(z~2) orbitals in metal strings plays a major role in electron transport of linear trimetal complexes.

机译：采用非平衡格林函数方法和扩展的Huckel理论（NEGF-EHT）研究线性三金属配合物M3（μ3-dpa）4（NCS）2（dpa = 2，2'-二吡啶基酰胺），M = Co，Ni和Cr。基于独立电子方法得到的电导的趋势和数量级与实验观察非常吻合。此外，通过研究与不同配体配位的假想复合物家族，比较地研究了配体对分子线传导路径的影响。我们已经发现，由金属串中的中心d_（z〜2）轨道组成的分子轨道之一在线性三金属配合物的电子传输中起主要作用。

著录项

来源
《The journal of physical chemistry, C. Nanomaterials and interfaces》 |2008年第28期|共4页
作者
Liang-Yan Hsu; Qian-Rui Huang; Bih-Yaw Jin;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类特种结构材料;表面现象的物理化学;
关键词

相似文献

外文文献
中文文献
专利

1. Charge Transport Through a Single Molecular Wire Based on Linear Multimetal Complexes: A Non-Equilibrium Green's Function Approach [J] . Liang-Yan Hsu, Qian-Rui Huang, Bih-Yaw Jin The journal of physical chemistry, C. Nanomaterials and interfaces . 2008,第28期

机译：通过基于线性多金属络合物的单分子线进行电荷传输：一种非平衡格林函数方法
2. An ab initio Non-Equilibrium Green Function Approach to Charge Transport: Dithiolethine [J] . Alexander Schnurpfeil, SONG Bo, Martin Albrecht 中国物理快报：英文版 . 2006,第003期

机译：从头开始的非平衡绿色函数电荷传输方法：二硫代赖氨酸
3. Iron sulfur-based single molecular wires for enhancing charge transport in enzyme-based bioelectronic systems [J] . Mahadevan Aishwarya, Fernando Teshan, Fernando Sandun Biosensors & Bioelectronics: The International Journal for the Professional Involved with Research, Technology and Applications of Biosensers and Related Devices . 2016,第Null期

机译：铁硫基单分子线，可增强基于酶的生物电子系统中的电荷传输
4. Application of a Non-equilibrium Green's function method to electrical transport through single molecular-assembled metallic nanoparticles [C] . Yongqiang Xue, Mark A. Ratner, Materials Research Society Materials Research Society Symposium . 2003

机译：非平衡绿色功能法在通过单分子组装金属纳米颗粒电气输送的应用
5. Nonequilibrium green function approach to elastic and inelastic spin-charge transport in topological insulator-based heterostructures and magnetic tunnel junctions [D] . Mahfouzi, Farzad. 2014

机译：基于拓扑绝缘子的异质结构和磁隧道结中弹性和非弹性自旋电荷输运的非平衡格林函数方法
6. Nonlinear optical spectroscopy of single few and many molecules; nonequilibrium Green’s function QED approach [O] . Christoph A. Marx, Upendra Harbola, Shaul Mukamel -1

机译：单分子少分子和多分子的非线性光谱学；非平衡格林函数QED方法
7. A wave function based ab initio non-equilibrium Green's function approach to charge transport [O] . Albrecht, Martin, Song, Bo, Schnurpfeil, Alexander 2005

机译：基于波函数的ab initio非平衡格林函数充电运输的方法
8. Non-Equilibrium Green's Function Approach to Dielectric Response: De-Screening ofthe Coulomb Interaction at High Electric Fields [R] . Yi, K. S, Kriman, A. M., Ferry, D. K. 1992

机译：非平衡格林函数的介电响应方法：高电场下库仑相互作用的去屏蔽

Charge Transport Through a Single Molecular Wire Based on Linear Multimetal Complexes: A Non-Equilibrium Green's Function Approach

摘要

著录项

相似文献

相关主题

期刊订阅