Collaborative Research: RUI: Instrument Development: Ångström-Scale Operando Spectroscopic Imaging at Heterogeneous Electrochemical Interfaces

合作研究：RUI：仪器开发：异质电化学界面的埃级操作光谱成像

• 批准号: 2304955
• 负责人: Naihao Chiang
• 金额: $ 38.2万
• 依托单位: University of Houston
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2023
• 资助国家: 美国
• 起止时间: 2023-09-01 至 2026-08-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2304955&HistoricalAwards=false
• 关键词: Collaborative; Research; RUI; Instrument; Development

With support from the Chemical Measurement and Imaging (CMI) Program in the Division of Chemistry and the Established Program to Stimulate Competitive Research (EPSCoR) Program, Naihao Chiang from the University of Houston and Lindsey Madison from Colby College are studying solution phase heterogeneous electrochemical systems using advances in hyperspectral imaging and simulation tools. Chemical reactions that occur at an electrode surface are composed of a mixture of molecules, which leads to varying atomic scale heterogeneity in composition, electronic structure, and morphology. To better understand these complex systems, Dr. Chiang and his students will construct a custom-built electrochemical tip-enhanced Raman spectroscopy (EC-TERS) instrument to experimentally characterize electrode surfaces while Dr. Madison and her students will provide complementary information to determine and predict molecular structures on the electrode surfaces. Chiang and Madison are also developing after-school outreach activities to engage with students in primary and secondary education.In this collaborative project, synergistic computational and experimental studies of electrochemical reactions at the atomic level will be studied through the development of an electrochemical tip-enhanced Raman spectroscopy (EC-TERS) imaging instrument. Predictions on the effect of small molecule oxidation states on surface binding configurations and their non-resonant Raman response will be made using ab initio molecular dynamics (AIMD) and by time dependent density functional theory (TD-DFT). By improving capabilities in spatial resolution through advances in instrumentation, the interplay between electrical potential, absorbed molecules, and electrolytes at EC interfaces will be studied. Proof-of-concept systems will be explored to guide future applications in advanced electrochemistry applications such as batteries and catalysts.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.

在化学系化学测量和成像（CMI）计划和刺激竞争研究（EPSCoR）计划的支持下，休斯顿大学的Naihao Chiang和科尔比学院的Lindsey麦迪逊正在利用高光谱成像和模拟工具的进步研究溶液相非均相电化学系统。在电极表面发生的化学反应由分子的混合物组成，这导致在组成、电子结构和形态上的不同原子尺度的异质性。为了更好地了解这些复杂的系统，蒋博士和他的学生将构建一个定制的电化学尖端增强拉曼光谱（EC-TERS）仪器，以实验表征电极表面，而麦迪逊博士和她的学生将提供补充信息，以确定和预测电极表面的分子结构。蒋和麦迪逊也正在开发课外外展活动，与学生在小学和中学教育。在这个合作项目中，协同计算和实验研究的电化学反应在原子水平上将通过开发电化学尖端增强拉曼光谱（EC-TERS）成像仪器进行研究。利用从头算分子动力学（AIMD）和含时密度泛函理论（TD-DFT）预测了小分子氧化态对表面结合构型及其非共振拉曼响应的影响。通过提高空间分辨率的能力，通过仪器的进步，电势，吸收的分子，和电解质之间的相互作用在EC界面将进行研究。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。