Collaborative Research: Design and synthesis of hybrid anode materials made of chemically bonded carbon nanotube to copper: a concerted experiment/theory approach

合作研究：设计和合成由化学键合碳纳米管和铜制成的混合阳极材料：协调一致的实验/理论方法

• 批准号: 2334039
• 负责人: Noe Alvarez
• 金额: $ 41.16万
• 依托单位: University of Cincinnati Main Campus
• 依托单位国家: 美国
• 项目类别: Continuing 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=2334039&HistoricalAwards=false
• 关键词: Collaborative; Research; Design; synthesis; hybrid

PART 1: NON-TECHNICAL SUMMARYAlthough lithium-ion batteries (LIB) can be found everywhere and are widely used, scientific challenges still exist. For example, electric cars are still not as practical as gasoline cars because, among other issues, they are difficult to recharge in short times. To improve this, new materials need to be developed since the currently used materials in LIB are already close to their maximum capabilities. This research, supported by the Solid State and Materials Chemistry program in NSF’s Division of Materials Research, focuses on designing and synthesizing materials and elucidating structure-property trends that may lead to insights on how to improve the capacity of batteries. The project combines computational approaches with modern materials chemistry experiments to develop nanoscale materials, one hundred times smaller than the thickness of a human hair, with increased electron transport capabilities. The principal investigators make use of computational fundamental science to guide experiments and therefore virtual testing of a wide variety of materials, reducing the cost of testing and trial-and-error to reasonable budgets. Since batteries are used in all areas of human activities, it is difficult to imagine any activity in our society where remote electricity would not be beneficial. Additionally, the projects supports efforts to increase diversity and train the next generation of scientists and engineers.PART 2: TECHNICAL SUMMARYWith this project, supported by the Solid State and Materials Chemistry program in NSF’s Division of Materials Research, researchers at the University of Cincinnati and Texas A&M, investigate the design and synthesis of hybrid electrode materials that combine carbon nanomaterials and copper metallic surfaces to create an efficient and robust pathway for electron transport. To facilitate the understanding and quantification of electron transport at the interface, the team employs open-ended carbon nanotubes (CNTs) attached to a bulk copper substrate using stable linker molecules. The CNTs are oriented vertically compared to the Cu substrate, and only the ends of the CNTs are connected to Cu atoms. The research combines ab initio analysis, synthesis, and characterization studies. With the aim of impedance matching at the interface the team studies the materials as anodes for Li batteries, investigates energy storage performance and dendrite formation in the context of computational and experimental structure-property correlations. The results of this research could pave the way for more efficient batteries, new sensors, new catalysts, and new biodevices. Additionally, the multidisciplinary project provides experiential opportunities for the next generation of scientists. The principal investigators encourage diversity and actively motivate more minorities to pursue college and specialize in fields of science and technology.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.

第1部分：非技术摘要，但可以在任何地方找到锂离子电池（LIB），并且被广泛使用，仍然存在科学挑战。例如，电动汽车仍然不如汽油汽车那样实用，因为除其他问题外，它们很难在短时间内充电。为了改善这一点，需要开发新材料，因为LIB中当前使用的材料已经接近其最大功能。这项研究得到了NSF材料研究部的固态和材料化学计划的支持，重点是设计和合成材料，并阐明结构 - 质地趋势，这可能会导致有关如何提高电池能力的见解。该项目将计算方法与现代材料化学实验相结合，以开发纳米级材料，比人头发的厚度小100倍，并增加了电子传输能力。主要研究人员利用计算基础科学来指导实验，因此对各种材料进行了虚拟测试，从而将测试和试验的成本降低为合理的预算。由于电池在人类活动的所有领域都使用，因此很难想象我们社会中的任何活动都不是有益的。 Additionally, the projects support effort to increase diversity and train the next generation of scientists and engineers.PART 2: TECHNICAL SUMMARYWith this project, supported by the Solid State and Materials Chemistry program in NSF’s Division of Materials Research, researchers at the University of Cincinnati and Texas A&M, investigate the design and synthesis of hybrid electrode materials that combine carbon nanomaterials and copper metallic surfaces to create an efficient and robust电子传输的途径。为了促进对界面上电子传输的理解和量化，使用稳定的接头分子，团队员工开放式碳纳米管（CNTS）。 CNT在垂直方向上与CU底物进行比较，并且仅CNT的末端连接到Cu原子。该研究结合了从头算分析，合成和表征研究。为了在界面上匹配阻抗匹配的目的，团队将材料研究为LI电池的阳极，研究在计算和实验性结构 - 质体相关性的背景下，研究储能性能和树突形成。这项研究的结果可以为更有效的电池，新传感器，新催化剂和新生物探测铺平道路。此外，多学科项目为下一代科学家提供了专家机会。首席调查人员鼓励多样性，并积极激励更多的少数民族追求大学并专门研究科学技术领域。该奖项反映了NSF的法定使命，并使用基金会的知识分子优点和更广泛的影响审查标准，被认为是通过评估而被视为珍贵的支持。