Electrically-Tunable Surface Energy and Reactivity of Graphene

石墨烯的电可调表面能和反应性

• 批准号: 1708852
• 负责人: Narayana Aluru
• 金额: $ 37.68万
• 依托单位: University of Illinois at Urbana-Champaign
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2017
• 资助国家: 美国
• 起止时间: 2017-08-01 至 2022-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1708852&HistoricalAwards=false
• 关键词: Electrically; Tunable; Surface; Energy; Reactivity

Non-technical Description: Typically the surface characteristics of conventional materials cannot be changed without disturbing materials' intrinsic properties. For example, chemical treatments are used to alter the surface characteristics of semiconductors, and a continuous flow of electrical currents is used to change the surface characteristics of metals. In contrast, the surface characteristics of graphene, a material which consists of a single atomic layer of hexagonally bonded carbon atoms, can be dynamically tuned while preserving the superb properties of graphene. This is due to the atomically-thin nature and unique properties of graphene. This project studies tunable surface characteristics of graphene to enable a novel and multi-functional coating material. The capacity to dynamically tune the surface characteristics of graphene can be used to advance corrosion and oxidation resistant coating, sensing, condensation heat transfer, battery and supercapacitator efficiency, and microfluidics. These improvements increase productivity and reduce costs in the energy, manufacturing, and health sectors. In addition, the new knowledge and broader implications realized in this project offer an excellent educational opportunity to enhance community engagement and outreach in the exciting and growing field of nanotechnology. Specific avenues for dissemination include online learning platforms, summer research experiences for students, and field trips and summer science camps for high-school students.Technical Description: Graphene, which consists of fully saturated and chemically inert sp2-hybridized carbon atoms, senses and interacts with external molecules in close vicinity via delocalized pi electrons. Unlike conventional bulk materials, external molecules can modulate the doping levels of graphene by interacting with these delocalized, massless Dirac fermions. Likewise, the modulation of doping levels can in turn affect the way graphene reacts with external molecules. The objective of this project is to establish a fundamental understanding of electrical doping-induced tunable surface energy and reactivity of graphene to address the knowledge gap concerning the coupling between graphene's electronic states and its surface energy/reactivity. The principal investigators' hypothesis is that the modulation of graphene's electron state by doping contributes to the tunable electrostatic force which graphene exerts on external molecules, and in turn impacts the tunable surface energy and reactivity of graphene. The research combines in situ experimental investigations with quantum and atomistic theoretical modeling. In situ microscopy, such as atomic force microscopy and electron microscopy, as well as spectroscopic characterizations, including Raman spectroscopy and X-ray photoelectron spectroscopy, are performed to experimentally investigate how doping influences the surface energy and reactivity of graphene. Furthermore, theoretical investigations, including detailed quantum, atomistic and reactive molecular dynamics calculations, are performed to complement and explain experimental finding of doping-induced surface energy/reactivity, while the experimentally obtained parameters are used to develop a comprehensive theory for the prediction and development of new surface phenomena. This project advances the scientific knowledge of how modulation of doping levels affect graphene's reaction to external molecules as well as improves the technical capability of tunable surface characteristics of graphene.

非技术描述：通常情况下，改变传统材料的表面特性不会影响材料的固有特性。例如，化学处理被用来改变半导体的表面特征，而连续的电流被用来改变金属的表面特征。相比之下，石墨烯的表面特性可以动态调整，同时保持石墨烯的卓越性能。石墨烯是一种由六角碳原子组成的单一原子层。这是由于石墨烯原子稀薄的性质和独特的性质。本项目研究石墨烯的可调表面特性，以实现一种新型的多功能涂层材料。动态调整石墨烯表面特性的能力可用于提高腐蚀和抗氧化涂层、传感、冷凝换热、电池和超级电容器的效率以及微流体。这些改进提高了能源、制造和医疗部门的生产率并降低了成本。此外，在这个项目中实现的新知识和更广泛的影响提供了一个极好的教育机会，以加强社区在令人兴奋和不断增长的纳米技术领域的参与和推广。具体的传播途径包括在线学习平台，学生的暑期研究体验，以及高中生的实地旅行和暑期科学夏令营。技术描述：石墨烯，由完全饱和的和化学惰性的sp2杂化碳原子组成，通过离域的pi电子与邻近的外部分子相互作用。与传统的块状材料不同，外部分子可以通过与这些离域的、无质量的狄拉克费米子相互作用来调节石墨烯的掺杂水平。同样，掺杂水平的调节反过来也会影响石墨烯与外部分子的反应方式。本项目的目标是建立对电子掺杂诱导的石墨烯可调表面能和反应性的基本理解，以解决关于石墨烯的电子态和其表面能/反应性之间的耦合的知识空白。主要研究人员的假设是，掺杂对石墨烯电子态的调制有助于石墨烯对外部分子施加可调静电力，进而影响石墨烯的可调表面能和反应性。这项研究将现场实验研究与量子和原子理论建模相结合。通过原子力显微镜和电子显微镜等原位显微镜，以及拉曼光谱和X射线光电子能谱等光谱表征，实验研究了掺杂对石墨烯表面能和反应活性的影响。此外，还进行了详细的理论研究，包括详细的量子、原子和反应分子动力学计算，以补充和解释掺杂引起的表面能/反应性的实验结果，而实验获得的参数用于发展预测和发展新表面现象的综合理论。该项目推进了有关掺杂水平的调制如何影响石墨烯与外部分子反应的科学知识，并提高了石墨烯表面特性可调的技术能力。

项目成果

Current understanding and emerging applications of 3D crumpling mediated 2D material-liquid interactions

• DOI: 10.1016/j.cossms.2020.100836
• 发表时间: 2020-06
• 期刊: Current Opinion in Solid State and Materials Science
• 影响因子: 11
• 作者: P. Snapp;M. Heiranian;M. T. Hwang;R. Bashir;N. Aluru;Sungwoo Nam

Colloidal Photonic Crystal Strain Sensor Integrated with Deformable Graphene Phototransducer

• DOI: 10.1002/adfm.201902216
• 发表时间: 2019-08-01
• 期刊: ADVANCED FUNCTIONAL MATERIALS
• 影响因子: 19
• 作者: Snapp, Peter;Kang, Pilgyu;Nam, SungWoo
• 通讯作者: Nam, SungWoo

Molecular Dynamics Properties without the Full Trajectory: A Denoising Autoencoder Network for Properties of Simple Liquids

• DOI: 10.1021/acs.jpclett.9b02820
• 发表时间: 2019-12-19
• 期刊: JOURNAL OF PHYSICAL CHEMISTRY LETTERS
• 影响因子: 5.7
• 作者: Moradzadeh, Alireza;Aluru, N. R.
• 通讯作者: Aluru, N. R.

Uniaxially crumpled graphene as a platform for guided myotube formation

• DOI: 10.1038/s41378-019-0098-6
• 发表时间: 2019-11-04
• 期刊: MICROSYSTEMS & NANOENGINEERING
• 影响因子: 7.9
• 作者: Kim, Junghoon;Leem, Juyoung;Nam, SungWoo
• 通讯作者: Nam, SungWoo

Transfer-Learning-Based Coarse-Graining Method for Simple Fluids: Toward Deep Inverse Liquid-State Theory

• DOI: 10.1021/acs.jpclett.8b03872
• 发表时间: 2019-03-21
• 期刊: JOURNAL OF PHYSICAL CHEMISTRY LETTERS
• 影响因子: 5.7
• 作者: Moradzadeh, Alireza;Aluru, Narayana R.
• 通讯作者: Aluru, Narayana R.