Collaborative Research: Guiding synthesis of nanoparticles with nanometric phase diagram and in situ X-ray diffraction

合作研究：用纳米相图和原位X射线衍射指导纳米颗粒的合成

• 批准号: 2004878
• 负责人: Hailong Chen
• 金额: $ 34.45万
• 依托单位: Georgia Tech Research Corporation
• 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=2004878&HistoricalAwards=false
• 关键词: Collaborative; Research; Guiding; synthesis; nanoparticles

Non-technical SummaryMetallic nanostructures are widely used in many important applications, such as catalysts, energy storage and biomedical engineering. The synthesis of metallic nanostructures is more difficult than that of bulk metals and alloys. Conventional phase diagrams are used as road maps to guide the synthesis and processing of bulk metals and alloys, but they are not suitable for nanoparticles, which have drastically increased surface area and surface energy. Nanometric phase diagrams as the counterpart of conventional phase diagram is highly desired. This project aims to establish nanometric phase diagrams for guiding synthesis of nanoparticles using advanced experimental characterizations and atomistic modeling. Experiments are conducted to observe the formation and growth of metal/alloy nanoparticles in real time, and atomistic modeling provides theoretical understanding of these processes. The synthesis of new forms of metal and alloy nanoparticles is guided by the novel nanometric phase diagrams. This project adds to the fundamental knowledge about the formation process of nanoparticles, and provides a new avenue of synthesizing novel nanoparticles for a range of applications. The scientific findings from this project are integrated as education components into undergraduate and graduate courses. Students at different stages of education participate through a variety of research, education, and outreach activities. Technical SummaryMany metallic nanostructures show unique physical and chemical properties that are different from their bulk forms. Previous researches have demonstrated that these metallic nanomaterials often form phases that are not stable in conventional phase diagram. However, it is not yet fully understood why this can happen and in what condition this would happen. This project aims to answer these fundamental questions via a novel approach combining computational and experimental research efforts. State-of-the-art in situ X-ray characterization techniques are developed and employed to monitor the nucleation and growth processes of metallic nanoparticles in solutions, both qualitatively and quantitatively. First principles computations are used to evaluate the bulk, surface and total energies of nanoparticles in different synthesis conditions and at different length scales. By coupling computational and experimental investigations, the formation mechanisms of metallic nanostructures are revealed and the nanometric phase diagrams are established to predict and guide the syntheses of metallic nanomaterials. The findings and outcome of this project have impacts and implications in multiple fields, such as solid state chemistry, metallurgy, and nanotechnology.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.

非技术摘要金属纳米结构广泛应用于许多重要应用，例如催化剂、能量存储和生物医学工程。金属纳米结构的合成比块体金属和合金更困难。传统的相图被用作指导大块金属和合金的合成和加工的路线图，但它们不适合纳米颗粒，因为纳米颗粒的表面积和表面能急剧增加。纳米相图作为传统相图的对应物是非常需要的。该项目旨在建立纳米相图，以利用先进的实验表征和原子建模来指导纳米粒子的合成。进行实验以实时观察金属/合金纳米颗粒的形成和生长，原子建模提供了对这些过程的理论理解。新形式的金属和合金纳米粒子的合成是由新颖的纳米相图指导的。该项目增加了有关纳米颗粒形成过程的基础知识，并为合成用于一系列应用的新型纳米颗粒提供了新途径。该项目的科学发现作为教育组成部分纳入本科生和研究生课程。不同教育阶段的学生参与各种研究、教育和外展活动。技术摘要许多金属纳米结构表现出与其块状形式不同的独特物理和化学性质。先前的研究表明，这些金属纳米材料经常形成传统相图中不稳定的相。然而，目前尚不清楚为什么会发生这种情况以及在什么情况下会发生这种情况。该项目旨在通过结合计算和实验研究工作的新颖方法来回答这些基本问题。开发并采用最先进的原位 X 射线表征技术来定性和定量监测溶液中金属纳米颗粒的成核和生长过程。 第一原理计算用于评估纳米颗粒在不同合成条件和不同长度尺度下的体积能量、表面能量和总能量。通过计算和实验研究的结合，揭示了金属纳米结构的形成机制，并建立了纳米相图来预测和指导金属纳米材料的合成。该项目的研究结果和成果对固态化学、冶金和纳米技术等多个领域产生影响和影响。该奖项反映了 NSF 的法定使命，并通过使用基金会的智力价值和更广泛的影响审查进行评估，被认为值得支持标准。

项目成果

Interstitial carbon atoms enhance both selectivity and activity of rhodium catalysts toward C-C cleavage in direct ethanol fuel cells

• DOI: 10.1016/j.nanoen.2023.108597
• 发表时间: 2023-08
• 期刊: Nano Energy
• 影响因子: 17.6
• 作者: Zhenming Cao;Huiqi Li;Qiyuan Fan;Zhantao Liu;Zitao Chen;Yunchao Sun;Jinyu Ye;Maofeng Cao