Collaborative Research: Manipulating the Thermal Properties of Two-Dimensional Materials Through Interface Structure and Chemistry

合作研究：通过界面结构和化学控制二维材料的热性能

• 批准号: 2400353
• 负责人: Alexander Goncharov
• 金额: $ 6.04万
• 依托单位: Carnegie Institution of Washington
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2024
• 资助国家: 美国
• 起止时间: 2024-03-01 至 2027-02-28
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2400353&HistoricalAwards=false
• 关键词: Collaborative; Research; Manipulating; Thermal; Properties

Nontechnical DescriptionAny owner of a mobile phone or laptop computer knows how hot they can get when being used. This is why electronic devices are engineered to shed heat and reduce the temperature under operation. This problem is critical at the nanoscale, where it is necessary to control thermal conduction at boundaries between different materials and components. Consider two-dimensional (2D) materials such as graphene, which have shown great promise. These consist of layers of atoms that are tightly bound in the plane and weakly bound between layers. If heat cannot be efficiently transported between layers, there would be significant limits to the use of 2D materials in next generation electronics. On the other hand, a strong thermal boundary could provide the potential for remarkable materials with thermal isolation better than air. The need to understand and control thermal boundary conductance at 2D-2D interfaces and between 2D and bulk materials motivates this project. Investigators will manipulate the thermal properties of 2D materials through changes in their interface structure and chemistry. Investigators will study how to control physical coupling and the effect of novel heat transfer mechanisms. An integral part of this project will be to develop experiential education programs for underrepresented students at the University of Texas at Dallas, the Carnegie Institute of Washington, and local high schools and community colleges. The researchers will work with local museums to develop new artwork conservation programs using optical techniques such as Raman spectroscopy.Technical DescriptionA major gap in the present knowledge of thermal boundary conductance (TBC) is how it can be manipulated by changing the structure of 2D-2D and 2D-bulk interfaces. As these interfaces are often set when the sample is fabricated, only a subset of structure-property relationships has been investigated, and often across disparate samples subject to the variation common to 2D materials. This project is applying extreme pressure within a diamond anvil cell as a new technique for broadly changing the structure of the same interface while measuring the TBC. This is allowing researchers to decode fundamental knowledge on the structure-property relationships for the TBC while also gaining insights into practical pathways for manipulating the thermal properties of 2D materials and thermal limitations of 2D devices. Specific structural and chemical changes at the interface include (1) the increase of physical coupling, (2) the transition from nonbonded to bonded chemistry, and (3) the onset of new phononic and nonphononic heat transfer mechanisms. Raman spectroscopy at optical wavelengths is being used to simultaneously characterize the interface and measure the TBC. The measurements are backed by first-principles modeling and molecular dynamics simulations. In addition to the TBC, these models are allowing researchers to identify renormalizations of the phonon dispersion and scattering, which can affect many phonon-limited areas of energy transport and conversion in 2D materials.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.

非技术性说明任何拥有移动的手机或笔记本电脑的人都知道它们在使用时会有多热。这就是为什么电子设备被设计成散热并降低工作温度的原因。这个问题在纳米尺度上是至关重要的，在纳米尺度上，有必要控制不同材料和组件之间边界处的热传导。考虑二维（2D）材料，如石墨烯，它已经显示出很大的希望。这些由原子层组成，这些原子层在平面内紧密结合，层与层之间弱结合。如果热量不能在层与层之间有效地传输，那么在下一代电子产品中使用2D材料将受到很大的限制。另一方面，强大的热边界可以提供比空气更好的隔热材料的潜力。需要了解和控制在2D-2D界面和2D和散装材料之间的热边界传导激励这个项目。研究人员将通过改变界面结构和化学来操纵2D材料的热特性。研究人员将研究如何控制物理耦合和新的传热机制的影响。该项目的一个组成部分将是为德克萨斯大学达拉斯分校、华盛顿卡内基研究所以及当地高中和社区学院的代表性不足的学生制定体验式教育方案。研究人员将与当地博物馆合作，开发新的艺术品保护计划，使用光学技术，如拉曼spectroscopy.Technical DescriptionA主要差距，目前的知识热边界传导（TBC）是如何可以通过改变二维二维和二维散装接口的结构来操纵。由于这些界面通常是在制造样品时设置的，因此仅研究了结构-性质关系的子集，并且通常跨不同的样品进行2D材料常见的变化。该项目是在金刚石压砧单元内施加极压，作为一种新技术，用于在测量TBC时广泛改变同一界面的结构。这使研究人员能够解码TBC结构-性能关系的基础知识，同时也可以深入了解操纵2D材料热性能和2D器件热限制的实际途径。在界面处的具体结构和化学变化包括（1）物理耦合的增加，（2）从非键合化学向键合化学的转变，以及（3）新的声子和非声子传热机制的开始。光学波长的拉曼光谱被用于同时表征界面和测量TBC。这些测量得到了第一性原理建模和分子动力学模拟的支持。除了TBC之外，这些模型还使研究人员能够识别声子色散和散射的重正化，这可能会影响2D材料中能量传输和转换的许多声子限制区域。该奖项反映了NSF的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。