Quantum control of nanochemistry

纳米化学的量子控制

• 批准号: 2108612
• 负责人: Tamar Seideman
• 金额: $ 42万
• 依托单位: Northwestern University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2021
• 资助国家: 美国
• 起止时间: 2021-08-15 至 2024-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2108612&HistoricalAwards=false
• 关键词: Quantum; control; nanochemistry

With support from the Macromolecular, Supramolecular, and Nanochemistry Program in the Division of Chemistry, Professor Tamar Seideman at Northwestern University is developing ways to control nanoscale systems with light. Light can push the electrons in a molecule around and in turn, exert forces on the nuclei. The effect is exaggerated near metal nanostructures, which can confine light, creating intense plasmonic fields that amplify these forces. Professor Seideman and her group are developing theoretical methods to predict the plasmonic fields near nanostructures so that they can be used to control chemical reactions, or the flow of electrons through nanoscale electrical junctions. Their discoveries could lead to new ways of understanding the nano-domain and to the advancement of light-driven nanodevices. The project is pursuing several educational and outreach activities, including participation in programs providing research experiences for undergraduate students and teachers from under-represented groups, as well as establishing two international student exchange programs. The project aims to tackle three interrelated research challenges. (1) Optical control of conformational motion in molecular switches will be studied using a finite-difference time-domain approach to compute plasmonic enhancement; density functional theory and a slab model to determine the potential energy and polarizability functions; and the Langevin equation to study time evolution. (2) The control of electron transport in graphene nanojunctions will be investigated using a non-Markovian framework that includes the roles of carrier-carrier and carrier-photon couplings. (3) Finally, this research effort will introduce and explore laser-driven reactive nanochemistry that takes advantage of the time-invariant nature of the optical field relative to the rotational period of the molecules. The numerical code that is being developed as part of the work will be broadly disseminated in the scientific community enhancing the impact of the work well beyond the Seideman laboratory.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.

在化学系的大分子，超分子和纳米化学计划的支持下，西北大学的塔玛尔·塞德曼教授正在开发用光控制纳米级系统的方法。 光可以将电子推到周围的分子中，然后将电子施加在细胞核上。 该效果在金属纳米结构附近被夸大，该纳米结构可以限制光线，从而产生强烈的等离子体场，从而扩大这些力。 Seideman教授和她的小组正在开发理论方法，以预测纳米结构附近的等离子场，以便它们可以用于控制化学反应，或者通过纳米级电交叉来控制电子反应。他们的发现可能导致理解纳米域的新方法，并提高光驱动的纳米电视。 该项目正在进行几项教育和推广活动，包括参与为本科生和代表性不足的团体的教师提供研究经验的计划，并建立两个国际学生交流计划。该项目旨在应对三个相互关联的研究挑战。 （1）将使用有限差分时间域方法来研究分子开关中构象运动的光学控制；密度功能理论和平板模型，以确定势能和极化函数；以及研究时间演变的兰格文方程。 （2）将使用非马克维亚框架来研究石墨烯纳米夹石中电子传输的控制，该框架包括载体 - 载体和载体 - 光子耦合的作用。 （3）最后，这项研究工作将引入和探索激光驱动的反应性纳米化学，该纳米化学利用光场相对于分子的旋转时期的时间不变的性质。作为工作的一部分，正在开发的数值守则将在科学界广泛传播，从而增强了Seideman Laboratory以外的工作的影响。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的影响审查标准通过评估来进行评估的。