Ballistic Energy Transport in Molecules

分子中的弹道能量传输

• 批准号: 2201027
• 负责人: Igor Rubtsov
• 金额: $ 45万
• 依托单位: Tulane University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2022
• 资助国家: 美国
• 起止时间: 2022-08-01 至 2025-07-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2201027&HistoricalAwards=false
• 关键词: Ballistic; Energy; Transport; Molecules

With support from the Chemical Structure, Dynamics, and Mechanisms-A (CSDM-A) Program in the Division of Chemistry, a research team led by Professors Igor Rubtsov and Alexander Burin at Tulane University will investigate ballistic energy transport, a process that is responsible for unusually rapid and efficient movement of energy in molecules. Energy, in the form of heat, typically flows through materials through a process called thermal diffusion. However, Professor Rubtsov and his research team previously identified systems where energy deposited in one end of a molecule is rapidly transferred through the molecular backbone to distant locations. This project examines the underlying details of this anomalous transport of energy. A deeper understanding of ballistic energy transport may help scientists design new materials with improved thermal conductivity properties where the direction, speed, and efficiency of energy transport are controlled. The project also provides interdisciplinary training for graduate and undergraduate students engaged in the research, as well as opportunities for middle school students from underrepresented groups to participate in educational activities that promote chemistry. The team will use ultrafast dual-frequency two-dimensional infrared spectroscopy methods in the laboratory and will implement first-principle theoretical modeling to elucidate the efficiency, speed, and mechanisms of energy transport in a range of oligomeric chains, potentially providing access to a large library of molecular systems that demonstrate efficient energy transport. The aim of the proposed research is to understand the chemical and physical origins of the processes of formation, propagation, and detection of the vibrational wavepackets, which represent compact bundles of energy. One focus of the program is to access regimes of efficient wavepacket initiation in longer molecular chains and to explore a variety of conditions for implementing such regimes. Another focus is to investigate how electronic conjugation in oligomeric chains affects the wavepacket initiation, transport speed, and transport efficiency and to explore the ability of altering the energy transport speed and efficiency by changing the degree of the electronic conjugation by external stimuli. These studies target the development of design principles for efficient energy transporters and energy transport switches. The broader impacts of the project include advanced student training, research opportunities for students from groups that are underrepresented in science, and additional educational outreach activities for middle school students.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.

在化学结构，动力学和机制-A（CSDM-A）计划的支持下，由伊戈尔·鲁布托夫（Igor Rubtsov）教授和杜兰大学（Tulane University）的亚历山大·伯林（Alexander Burin）领导的研究团队将研究弹道能量运输，这一过程负责分子中能量运动的异常快速和有效的流动。能量以热量的形式通过称为热扩散的过程流过材料。但是，Rubtsov教授及其研究团队先前确定了在分子的一端沉积的能量通过分子主链迅速转移到遥远位置的系统。该项目研究了这种异常运输能源的基本细节。对弹道能量运输的更深入了解可以帮助科学家设计具有改善热导率特性的新材料，其中能量传输的方向，速度和效率得到控制。该项目还为从事研究的研究生和本科生提供了跨学科培训，以及来自代表性不足小组的中学生参加促进化学反应的教育活动的机会。该团队将使用实验室中的超快双频二维红外光谱方法，并将实施第一原理理论建模，以阐明在一系列低聚链中的能量传输的效率，速度和机制，从而有潜在地提供出现有效能源运输的大型分子库，以提供有效的能源运输。拟议的研究的目的是了解振动波袋的形成，传播和检测过程的化学和物理起源，这些波袋代表了紧凑的能量束。该计划的一个重点是访问更长的分子链中有效的波袋起始制度，并探索实施此类制度的各种条件。另一个重点是研究寡聚链中的电子结合如何影响波袋的起始，传输速度和运输效率，并通过通过外部刺激改变电子结合的程度来探索改变能量传输速度和效率的能力。这些研究针对有效的能源运输商和能量传输开关的设计原理的发展。该项目的更广泛影响包括高级学生培训，来自科学中人数不足的团体的学生的研究机会以及对中学生的其他教育外展活动。该奖项反映了NSF的法定任务，并被认为是值得通过基金会的知识分子优点和更广泛影响的评估来评估的。