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: 2304956
• 负责人: Lindsey Madison
• 金额: $ 15.59万
• 依托单位: Colby College
• 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=2304956&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.

在化学测量和成像（CMI）方案的支持下，刺激竞争研究计划（EPSCOR）计划（EPSCOR）计划（休斯顿大学的Naihahao Chiang）和科尔比学院的Lindsey Madison的Naihahao Chiang正在研究解决方案阶段的异构电化学系统，使用透光谱成像和仿真工具进行了研究。在电极表面发生的化学反应由分子的混合物组成，这会导致组成，电子结构和形态的原子尺度异质性变化。为了更好地理解这些复杂的系统，Chiang博士和他的学生将构建一种定制的电化学尖端增强拉曼光谱仪（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互补的信息来确定和预测电极表面上的分子结构。 Chiang和Madison还正在开发课后外展活动，以与中学和中等教育的学生互动。在该协作项目中，将通过开发电化学尖端增强的Raman Spectroscopy（Ec-Ters）Image仪器来研究原子水平的电化学反应的协同计算和实验研究。对小分子氧化态对表面结合构型及其非谐波拉曼反应的影响的预测将使用从头算分子动力学（AIMD）以及通过时间依赖性密度功能理论（TD-DFT）进行。通过通过仪器的进步来提高空间分辨率的能力，将研究电势，吸收分子和EC接口的电解质之间的相互作用。概念验证系统将进行探索，以指导未来的电池和催化剂等高级电化学应用中的应用。该奖项反映了NSF的法定任务，并使用基金会的知识分子优点和更广泛的影响评估标准，认为值得通过评估值得支持。