Heterogeneous Catalysis for Carbon-Carbon Bond Forming Reactions using Clusters Supported on Defect-Engineered and Chemically Modified Graphene-based Materials

使用缺陷工程和化学改性石墨烯基材料支持的簇进行碳-碳键形成反应的多相催化

基本信息

批准号：
1900094
负责人：
Arthur Reber
金额：
$ 47.21万
依托单位：
Virginia Commonwealth University
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2019
资助国家：
美国
起止时间：
2019-08-01 至 2024-07-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1900094&HistoricalAwards=false
关键词：
Heterogeneous Catalysis Carbon Bond Forming

项目摘要

Developing efficient, recyclable, and inexpensive catalysts for the synthesis of pharmaceutical ingredients is an important goal of chemical research. Currently, palladium catalysts are used extensively in pharmaceutical applications. However, these processes often leave residual metal contamination in the reaction products. In addition, the catalysts are expensive and difficult to recover and recycle. In this project, Professors Samy El-Shall and Shiv Khanna and their students at Virginia Commonwealth University are developing new catalysts based on palladium nanoparticles supported on graphene-based materials to address these problems. Professors El-Shall and Khanna are deeply engaged in training students at all levels and are encouraging VCU undergraduates and Project SEED students from the Richmond area high schools to participate in the project where they will develop valuable skills as researchers.With funding from the Chemical Catalysis Program of the Chemistry Division, Drs. Samy El-Shall and Shiv Khanna of Virginia Commonwealth University are developing a fundamental understanding of the heterogeneous cross-coupling catalytic activity of palladium and palladium-nickel nanoparticles supported on a variety of graphene-based materials. The ultimate objective is to develop an efficient and inexpensive catalyst that could allow sustainable cross-coupling reactions. Density functional theory (DFT) calculations are carried out in parallel to the experimental work to investigate how the physical and chemical modifications of the graphene-based support can be controlled to influence the nature and density of surface defects, to improve the electron donor and acceptor characteristics of the support, and to allow carrying out co-catalysis on neighboring sites in a bimetallic catalyst. Drs. El-Shall and Khanna are actively engaged in the education and training of graduate and undergraduate students in the multi-disciplinary cutting edge research areas of heterogeneous catalysis, nanomaterials, surface science, and theoretical chemistry. Outreach programs are focused on recruitment of underrepresented minorities and women undergraduates and high school students to participate in the research in support of the broader impact of the project.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.

开发高效、可回收且廉价的催化剂来合成药物成分是化学研究的一个重要目标。目前，钯催化剂广泛用于制药应用。然而，这些过程通常会在反应产物中留下残留的金属污染物。此外，催化剂价格昂贵且难以回收和循环利用。在这个项目中，弗吉尼亚联邦大学的 Samy El-Shall 和 Shiv Khanna 教授以及他们的学生正在开发基于石墨烯基材料支撑的钯纳米颗粒的新型催化剂，以解决这些问题。 El-Shall 和 Khanna 教授深入致力于培训各个级别的学生，并鼓励弗吉尼亚联邦大学本科生和里士满地区高中的 SEED 项目学生参与该项目，他们将在该项目中培养作为研究人员的宝贵技能。在化学催化的资助下化学部计划，博士。弗吉尼亚联邦大学的 Samy El-Shall 和 Shiv Khanna 正在对各种石墨烯基材料上负载的钯和钯镍纳米粒子的异质交叉偶联催化活性有一个基本的了解。最终目标是开发一种高效且廉价的催化剂，可以实现可持续的交叉偶联反应。密度泛函理论（DFT）计算与实验工作并行进行，以研究如何控制石墨烯基载体的物理和化学修饰来影响表面缺陷的性质和密度，从而改善电子供体和受体载体的特性，并允许在双金属催化剂的相邻位点上进行共催化。博士。 El-Shall 和 Khanna 积极从事多相催化、纳米材料、表面科学和理论化学等多学科前沿研究领域的研究生和本科生的教育和培训。外展计划的重点是招募代表性不足的少数族裔以及女性本科生和高中生来参与研究，以支持该项目的更广泛影响。该奖项反映了 NSF 的法定使命，并通过使用基金会的智力评估进行评估，认为值得支持。优点和更广泛的影响审查标准。