Enabling fast and efficient nonaqueous ion (co-)intercalation for high energy density charge storage via systematic interfacial design

非技术总结了解离子如何进入锂离子电池电极的原理对于制造可靠和安全的电池至关重要，这种电池通过储存锂来储存能量。然而，在理解这些原理如何应用于钾、钠和镁等其他离子方面，仍然存在巨大的知识差距；所有这些离子都是令人兴奋的下一代电池的关键组件。该项目由NSF的固态和材料化学计划支持，引入了超薄电极，这种电极由几个原子厚的平坦的碳层组成，即所谓的少层石墨烯(Flg)，作为识别广泛离子存储过程中问题的平台。由于FLG很薄，所以可以非常快地进行实验。在这个项目中，研究人员使用技术轻松地看穿Flg，并模拟他们的行为进行可靠的量子计算。这使他们能够快速评估离子存储性能，并了解影响整个电池系统的基本原理。该项目与美国国家科学基金会的使命相一致，即通过创造电池等用于储能的战略材料的新知识来促进科学进步和促进国家繁荣。这有助于美国保持在科学的前沿。为了为这些更大的目标做出贡献，PI和共同PI都认同拉美裔社区，提供丰富学生学习和科学生活并对其产生积极影响的项目。这是通过以下方式实现的：通过实验室体验和培训，以及通过计算和社交媒体资源，向本科生和K-12受众提供直接的教育和研究机会。该项目由美国国家科学基金会的固体和材料化学项目支持，其目标是解决在基本理解石墨基质上的离子嵌入过程中所面临的界面现象方面的挑战。虽然有一些研究探讨了锂的嵌入动力学和机理，但对其他碱性离子、阴离子和多价阳离子的研究相对较少。该项目的范围是使用由几层石墨烯(FLG)电极组成的多功能平台，使高保真、快速和高效的电化学能够及时解决这一知识缺口。FLG电极以真正的界面选择性提高了实验吞吐量，允许快速识别和克服界面动力学障碍。研究的补充是有洞察力的成分分析、原位表征和稳健的量子模拟方法，以提供对插层过程的深入了解。这个项目产生了关于杂原子表面修饰和离子共嵌入对加速插入下一代电池的离子的动力学和机制的影响的知识。在西班牙裔观众和其他代表性不足的少数群体中确定PI和共同PI，有助于他们通过演示、实验室经验和社交媒体工具为应对未来的能源技术挑战做好准备。该项目与NSF促进科学进步和促进国家繁荣的使命相一致，通过提供对用于能量储存的战略材料的基本了解，创造变革性的知识使美国保持在科学的前沿，并通过跨学科的日益融合的研究为NSF的十大想法做出贡献。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。

Non-Technical SummaryUnderstanding the principles of how ions move into lithium-ion battery electrodes is crucial in making reliable and safe batteries that store energy by storing lithium. However, big knowledge gaps remain in the understanding of how these principles apply to other ions such as potassium, sodium, and magnesium; all of these ions are crucial components of exciting next-generation batteries. This project, supported by the Solid State and Materials Chemistry program at NSF, introduces ultra-thin electrodes, which are composed of a few atom-thick flat layers of carbon, so-called few-layer graphene (FLG), as a platform for identifying problems during the storage of a broad range of ions. Because FLG is so thin, experiments can be performed very quickly. On this project researchers use techniques for seeing through FLG easily, and perform reliable quantum calculations mimicking their behavior. This allows them to swiftly evaluate ion storage performance and to learn fundamental principles impacting battery systems at large. This project aligns to NSF's mission of promoting the progress of science and advancing national prosperity by creating new knowledge on strategic materials for energy storage, such as batteries. This helps the USA to remain at the forefront of science. In order to contribute towards these greater objectives, the PI and co-PI, both identifying with Hispanic communities, offer programs that enrich and make a positive impact on student's learning and scientific life. This is achieved by providing direct educational and research opportunities to undergraduate and K-12 audiences through laboratory experiences and training, and through computational and social media resources. Technical SummaryThe goal of this project, supported by the Solid State and Materials Chemistry program at NSF, is to address challenges in the fundamental understanding of interfacial phenomena faced during ion intercalation on graphitic hosts. While several studies have addressed lithium intercalation kinetics and mechanisms, comparatively fewer have done so on other alkali ions, anions, and multivalent cations. The scope of this project is to use a versatile platform consisting of few-layer graphene (FLG) electrodes which enable high-fidelity, fast, and efficient electrochemistry to address this knowledge gap in a timely manner. FLG electrodes improve experimental throughput with true interfacial selectivity, allowing to swiftly identify and overcome interfacial kinetic barriers. Studies are complemented with insightful compositional analysis, in situ characterization, and robust quantum simulation methods for providing a deep understanding of the intercalation process. This project generates knowledge on the impact of heteroatom surface modification and ion co-intercalation on the kinetics and mechanisms of ion insertion for next generation batteries in an accelerated manner. The identification of PI and co-PI with Hispanic audiences and other underrepresented minority groups helps preparing them to tackle future challenges in energy technologies through demonstrations, laboratory experiences, and social media tools. This project aligns to NSF's mission of promoting the progress of science and advancing national prosperity by providing fundamental understanding of strategic materials for energy storage, creating transformative knowledge for allowing the USA to remain at the forefront of science, and contributing to NSF's 10 Big Ideas by growing convergence research through interdisciplinarity.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.