Thermally functional and reversible thermal conductivity switching in nanoporous molecular frameworks

纳米多孔分子框架中的热功能和可逆导热系数转换

• 批准号: 2119365
• 负责人: Ashutosh Giri
• 金额: $ 35.84万
• 依托单位: University of Rhode Island
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2021
• 资助国家: 美国
• 起止时间: 2021-08-01 至 2025-07-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2119365&HistoricalAwards=false
• 关键词: Thermally; functional; reversible; thermal; conductivity

The energy consumption of the United States primarily relies on nonrenewable resources such as coal and petroleum that lead to large quantities of toxic emissions. Also, most of the energy consumption is wasted as heat. This combination of toxic environmental emissions and high energy inefficiencies demands better thermal engineering strategies capable of efficiently utilizing the wasted heat as reusable energy, thus lowering the consumption of the ever-depleting nonrenewable resources in the process. One innovative strategy, which goes beyond the traditional approach of utilizing passive thermal components to cool electronic devices is to actively control heat flow in electronics through thermal switches. This project will build on recent advances in 2D polymers to design new materials with superior thermal switching properties. Through this project, collaboration with local high schools will be initiated to develop educational modules for K-12 teachers and students providing opportunities for them to get exposure to nanotechnology through extracurricular activities in the Providence school system, which is the largest urban district in Rhode Island.The overarching goal of this proposed research program is to develop a bottom-up design criterion for a dynamic thermal switch based on molecular framework materials, possessing the ability to actively manipulate thermal gradients with high switching ratios and fast response times. The project team will perform systematic studies of structure-property relationship on 2D covalent organic frameworks, an emerging class of crystalline and porous polymeric materials, by implementing both theoretical and experimental approaches. All measurements will be performed using advancements in pump-probe optical spectroscopy techniques and these experiments will be corroborated with first-principles calculations and molecular dynamics simulations to access the atomistic and mode-level dynamical processes involving different types of energy carriers in these novel materials. This project will advance the fundamental understanding of energy transport mechanisms in molecular framework materials, 2D porous thin films and across hybrid interfaces occurring under structural phase transitions and electronic structure changes resulting from externally applied stimuli. This will open doors for the realization of new paradigms in heat, mass and charge transport properties that are facilitated by the 1D pore channels with high surface areas in 2D polymers.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.

美国的能源消费主要依赖煤炭和石油等不可再生资源，这些资源导致大量有毒物质排放。此外，大部分的能源消耗被浪费为热量。这种有毒的环境排放和高能效的结合需要更好的热能工程策略，能够有效地利用废热作为可重复使用的能源，从而降低过程中不断消耗的不可再生资源的消耗。一种创新的策略，它超越了利用被动热元件冷却电子设备的传统方法，是通过热开关主动控制电子设备的热流。该项目将以二维聚合物的最新进展为基础，设计具有优越热开关性能的新材料。通过这个项目，将与当地高中合作，为K-12教师和学生开发教育模块，为他们提供机会，让他们通过普罗维登斯学校系统的课外活动接触纳米技术，普罗维登斯学校系统是罗德岛最大的城区。本研究计划的总体目标是为基于分子框架材料的动态热开关开发一种自下而上的设计标准，该标准具有主动操纵热梯度的能力，具有高开关比和快速响应时间。项目团队将通过理论和实验两种方法，对二维共价有机框架（一种新兴的晶体和多孔聚合物材料）的结构-性能关系进行系统研究。所有的测量都将使用先进的泵浦探针光谱学技术进行，这些实验将通过第一性原理计算和分子动力学模拟来证实，以获得涉及这些新材料中不同类型的能量载流子的原子和模式级动力学过程。该项目将促进对分子框架材料、二维多孔薄膜以及在外部刺激引起的结构相变和电子结构变化下发生的混合界面中的能量传输机制的基本理解。这将为实现二维聚合物中具有高表面积的一维孔通道所促进的热、质量和电荷传输特性的新范式打开大门。该奖项反映了美国国家科学基金会的法定使命，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。

项目成果

Role of Anharmonicity in Dictating the Thermal Boundary Conductance across Interfaces Comprised of Two-Dimensional Materials

• DOI: 10.1103/physrevapplied.20.014039
• 发表时间: 2023-07
• 期刊: Physical Review Applied
• 影响因子: 4.6
• 作者: S. Thakur;A. Giri

Engineering the Electronic and Thermal Properties of Two-Dimensional Covalent Organic Frameworks

• DOI: 10.1021/acs.jpcc.3c00652
• 发表时间: 2023-06
• 期刊: The Journal of Physical Chemistry C
• 作者: M. A. Rahman;S. Thakur;P. Hopkins;A. Giri

Molecular Rotor–Rotor Heat Diffusion at the Origin of the Enhanced Thermal Conductivity of Hybrid Perovskites at High Temperatures

• DOI: 10.1021/acs.chemmater.2c02124
• 发表时间: 2022-10
• 期刊: Chemistry of Materials
• 影响因子: 8.6
• 作者: A. Giri;S. Thakur;A. Mattoni