Collaborative Research: Infra-Red Control of Electron Transfer Mechanisms

合作研究：电子转移机制的红外控制

• 批准号: 1955138
• 负责人: David Beratan
• 金额: $ 28.5万
• 依托单位: Duke University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2020
• 资助国家: 美国
• 起止时间: 2020-08-01 至 2024-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1955138&HistoricalAwards=false
• 关键词: Collaborative; Research; Infra; Red; Control

This collaborative research project, funded by the Chemical Structure, Dynamics & Mechanisms B Program of the Chemistry Division, is being carried out by Professors David Beratan and Peng Zhang of the Department of Chemistry at Duke University, and Igor Rubtsov of the Department of Chemistry at Tulane University. The goal of this research is to use theory, modeling, simulation, molecular design, synthesis, and spectroscopy to investigate electron-transfer experiments at the molecular scale. The short-term payoff of these studies will be a fundamental understanding of how to actively change chemical interactions by manipulating light. Longer-term results may include the development of novel functional materials with behaviors that are fundamentally quantum mechanical in origin. The broader impacts of the project are derived from educating young scientists on interdisciplinary topics at the interface of quantum dynamics, spectroscopy and electron transfer processes. Students will be trained to work in collaborative interdisciplinary research teams, developing fluency in elements of chemistry, matierals and physics with potential future applications in quantum science.Double-slit style experiments manifest the dual particle-wave nature of matter. This interdisciplinary research project explores how electronic propagation through covalent organic structures reveals double-slit electron transmission phenomena. The “slits” are realized through customized chemical synthesis, and a combination of novel visible, ultraviolet and infra-red frequency transient spectroscopies will be used to switch and to probe coherent double-slit style electron transmission through molecules. Vibrational excitation of the structures will be used to turn on/off electronic coupling pathways, thus inducing large changes in electron fluxes. The switching will be sensitive to the symmetry and normal mode structure of the molecules. The project explores the core enigma of quantum mechanics in the framework of molecules, with important future links to materials for sensing, communications, and energy science. The intensive collaboration of an interdisciplinary team will design, synthesize, measure, and analyze electronic propagation through customized double-slit style molecular structures.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

该合作研究项目由化学系化学结构、动力学机制B计划资助，由杜克大学化学系的大卫·贝拉坦教授和张鹏教授以及杜兰大学化学系的伊戈尔·鲁布佐夫教授负责。 本研究的目标是使用理论，建模，模拟，分子设计，合成和光谱学研究在分子尺度上的电子转移实验。这些研究的短期回报将是对如何通过操纵光来积极改变化学相互作用的基本理解。 长期的结果可能包括开发新的功能材料，其行为从根本上讲是量子力学的起源。该项目更广泛的影响来自于在量子动力学、光谱学和电子转移过程的界面上对年轻科学家进行跨学科主题的教育。学生将接受培训，在合作的跨学科研究团队中工作，发展化学，材料和物理元素的流利性，并在量子科学中有潜在的未来应用。双缝式实验体现了物质的双重粒子波性质。这个跨学科的研究项目探讨了如何通过共价有机结构的电子传播揭示双缝电子传输现象。“狭缝”是通过定制的化学合成实现的，新型可见光、紫外线和红外线频率瞬态光谱的组合将用于切换和探测通过分子的相干双狭缝式电子传输。结构的振动激发将用于打开/关闭电子耦合路径，从而引起电子通量的大变化。开关将对分子的对称性和正常模式结构敏感。该项目在分子框架内探索量子力学的核心之谜，并与传感，通信和能源科学的材料有着重要的未来联系。一个跨学科团队的密切合作将通过定制的双缝式分子结构设计、合成、测量和分析电子传播。该奖项反映了NSF的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

项目成果

Suppressing the entanglement growth in matrix product state evolution of quantum systems through nonunitary similarity transformations

• DOI: 10.1103/physrevb.106.104306
• 发表时间: 2022-02
• 期刊: Physical Review B
• 影响因子: 3.7
• 作者: Hanggai Nuomin;Kai T. Liu-;Fengquan Song;D. Beratan;Peng Zhang

Photoinduced Electron Transfer in an Ethyne Bridged Donor-Acceptor Complex Depends Strongly on Torsion Angle

乙炔桥供体-受体复合物中的光致电子转移很大程度上取决于扭转角

• 发表时间: 2021
• 期刊: International Conference on Time Resolved Vibrational Spectroscopy
• 作者: Mendis, Kasun C.;Li, Xiao;Valdiviezo, Jesús;Banziger, Susannah D.;Zhang, Peng;Ren, Tong;Beratan, David N.;Rubtsov, Igor V.
• 通讯作者: Rubtsov, Igor V.