Charge and heat transport through molecules: The role of coherent excitations, molecular wire heat ratchets, shot noise for heat and charge, thermoelectric phenomena, electron-phonon interaction, vibrational modes, exciton-assisted transport

通过分子的电荷和热传输：相干激发的作用、分子线热棘轮、热和电荷的散粒噪声、热电现象、电子-声子相互作用、振动模式、激子辅助传输

• 批准号: 25188102
• 负责人: Professor Dr. Peter Hänggi
• 金额: --
• 依托单位: Lehrstuhl für Theoretische Physik I
• 依托单位国家: 德国
• 项目类别: Priority Programmes
• 财政年份: 2006
• 资助国家: 德国
• 起止时间: 2005-12-31 至 2014-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/25188102?language=en
• 关键词: Charge; heat; transport; through; molecules

The field of molecular electronics deals with the electron transport through electrodemolecule- electrode settings and its possible technological applications. Within this proposal, we will investigate transport properties of molecular wires focussing on the current noise, heating effects, and the influence of time-dependent fields and gate voltages. In particular, we plan to explore the influence of Coulomb interaction and a coupling to vibrational degrees of freedom. As a working model for the molecule, a tight-binding Hamiltonian is employed which includes a coupling to metallic leads, to vibrational degrees of freedom, and to external fields, as well. Thereby, we will contribute to both the theoretical understanding of experimental observations and the prediction of novel phenomena. Moreover, our calculations will serve for testing the approximations on which the far more complex ab-initio methods are based on.

分子电子学研究电子在电极-分子间的传输及其可能的技术应用。在这个提议中，我们将研究分子线的输运性质，重点是电流噪声，热效应，以及随时间变化的场和栅电压的影响。特别是，我们计划探索库仑相互作用和耦合振动自由度的影响。作为一个工作模型的分子，紧束缚哈密顿量，其中包括耦合到金属铅，振动自由度，以及外部领域，以及。因此，我们将有助于对实验观察的理论理解和对新现象的预测。此外，我们的计算将用于测试更复杂的从头算方法所基于的近似。