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Substrate-Enhanced reactivity of pristine graphene in cycloaddition reactions

原始石墨烯在环加成反应中的基质增强反应性

基本信息

批准号：
1808671
负责人：
Mingdi Yan
金额：
$ 36万
依托单位：
University of Massachusetts Lowell
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2018
资助国家：
美国
起止时间：
2018-08-01 至 2022-07-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1808671&HistoricalAwards=false
关键词：
Substrate Enhanced reactivity pristine graphene

项目摘要

Professors Mingdi Yan and Lawrence Wolf of the University of Massachusetts Lowell are supported by the Macromolecular, Supramolecular, and Nanochemistry (MSN) Program of the Division of Chemistry to develop experimental and computationally guided approaches to enhance the reactivity of pristine graphene (a defect-free single layer, two-dimensional carbon material). The integration of theory with experiment provides a comprehensive, fundamental understanding of the reactions leading to the acceleration of discovery. The results have a direct impact on the practical utilization of this material, which exhibit extraordinary mechanical, electrical and thermal properties. Pristine graphene has the potential to impact many technologically important applications, such as in display screens, nanoelectronics, solar cells, and various others. Pristine graphene offers advantages over other forms of graphene, which are either oxidized or contain many defects. The computational modeling techniques used are incorporated in the curriculum of new computational chemistry courses offered to both undergraduate and graduate students. The students involved in the project receive training in research planning and evaluation through individualized development plans. Under-represented and female undergraduate students are recruited to participate in the project. This project aims to expand the chemical space of pristine graphene. Specifically, the impacts of substrate and interface on the reactivity of pristine graphene in cycloaddition reactions is investigated both experimentally and computationally. Pristine graphene is fabricated on different surfaces by chemical vapor deposition or by transfer. Cycloaddition reactions, with initial focus on the (2+1) cycloaddition with perfluoroaryl azides, are carried out and the products are characterized. The study aims to shed light on the relationship between the reactivity of graphene and its supporting substrate interface. The reactivity of pristine graphene in other cycloaddition reactions is also a subject of this investigation. The theoretical underpinnings of the cycloaddition substrate/reactivity relationships with pristine graphene is established using density functional theory through the development and application of modern reactivity models. Pristine graphene is fairly inert chemically due to the large resonance stabilization resulting from the delocalization of its conjugated pi electrons over the entire two-dimensional network. Overcoming these inherent reactivity challenges offers the ability to introduce into pristine graphene well-defined functionalities. Other benefits include modulating graphene solubility and bandgap, and enabling its integration into high performance composite materials and devices.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.

马萨诸塞大学洛厄尔分校的严明迪教授和劳伦斯·沃尔夫教授在化学系大分子、超分子和纳米化学(MSN)计划的支持下，开发了实验和计算指导的方法，以增强原始石墨烯(一种无缺陷的单层、二维碳材料)的反应活性。理论与实验的结合提供了对导致发现加速的反应的全面、基本的理解。这一结果直接影响到这种材料的实际应用，这种材料具有优异的机械、电学和热学性能。原始石墨烯有可能影响许多重要的技术应用，例如在显示屏、纳米电子、太阳能电池和其他各种领域。与其他形式的石墨烯相比，原始石墨烯具有优势，其他形式的石墨烯要么被氧化，要么含有许多缺陷。所使用的计算建模技术被纳入到为本科生和研究生提供的新的计算化学课程中。参与该项目的学生通过个性化的发展计划接受研究规划和评估方面的培训。招募代表不足和女本科生参加该项目。该项目旨在扩大原始石墨烯的化学空间。具体地说，通过实验和计算研究了底物和界面对原始石墨烯在环加成反应中的反应活性的影响。原始石墨烯是通过化学气相沉积法或转移法在不同的表面制备的。进行了以(2+1)环加成反应为主的全氟芳基叠氮环加成反应，并对产物进行了表征。这项研究旨在阐明石墨烯的反应性与其支持底物界面之间的关系。原始石墨烯在其他环加成反应中的反应活性也是本研究的一个主题。通过现代反应性模型的发展和应用，利用密度泛函理论建立了与原始石墨烯的环加成底物/反应性关系的理论基础。原始的石墨烯在化学上是相当惰性的，因为它的共轭pi电子在整个二维网络中的离域导致了大的共振稳定。克服这些固有的反应性挑战提供了在原始石墨烯中引入明确定义的功能的能力。其他好处包括调节石墨烯的溶解度和带隙，并使其能够集成到高性能复合材料和器件中。该奖项反映了NSF的法定使命，并通过使用基金会的智力优势和更广泛的影响审查标准进行评估，被认为值得支持。

项目成果

期刊论文数量（11）

专著数量（0）

科研奖励数量（0）

会议论文数量（0）

专利数量（0）

Removing contaminants from transferred CVD graphene

DOI：
10.1007/s12274-020-2671-6
发表时间：
2020-02
期刊：
Nano Research
影响因子：
9.9
作者：
Xiaojiang Yang;Mingdi Yan
通讯作者：
Xiaojiang Yang;Mingdi Yan

Carbohydrate Functionalization of Few-Layer Graphene through Microwave-Assisted Reaction of Perfluorophenyl Azide

全氟苯基叠氮化物微波辅助反应对少层石墨烯进行碳水化合物功能化

DOI：
10.1021/acsabm.8b00597
发表时间：
2019-01-22
期刊：
ACS APPLIED BIO MATERIALS
影响因子：
4.7
作者：
Kong, Na;Park, JaeHyeung;Yan, Mingdi
通讯作者：
Yan, Mingdi

Using metal substrates to enhance the reactivity of graphene towards Diels–Alder reactions

使用金属基底增强石墨烯对狄尔斯-阿尔德反应的反应活性

DOI：
10.1039/d2cp01842j
发表时间：
2022
期刊：
Physical Chemistry Chemical Physics
影响因子：
3.3
作者：
Yang, Xiaojian;Chen, Feiran;Kim, Min A.;Liu, Haitao;Wolf, Lawrence M.;Yan, Mingdi
通讯作者：
Yan, Mingdi

Synthesis of Carbohydrate-Grafted Glycopolymers Using a Catalyst-Free, Perfluoroarylazide-Mediated Fast Staudinger Reaction