权益分类	功能权益	普通用户	{{item.name}}会员
{{category.name}}	{{benefitItem.name}}

Mechanochemistry of advanced anode designs in Li-ion batteries

锂离子电池先进阳极设计的机械化学

基本信息

批准号：
386355213
负责人：
Professor Dr. Wolfgang H. Müller
金额：
--
依托单位：
Fachgebiet Kontinuumsmechanik und Materialtheorie
依托单位国家：
德国
项目类别：
Research Grants
财政年份：
2017
资助国家：
德国
起止时间：
2016-12-31 至 2021-12-31
项目状态：
已结题

来源：
https://gepris.dfg.de/gepris/projekt/386355213?language=en
关键词：
Mechanochemistry advanced anode designs Li

项目摘要

This proposal is a contribution toward improving the performance of Lithium-Ion Batteries (LIBs) by quantitative modeling based on fundamental principles of continuum physics. LIBs are important energy storage devices. They are required in various technological applications, such as portable electronics or for the powering of vehicles. The incorporation and removal of Li in the anode material during charging and discharging, which must be considered as a chemical reaction, is accompanied by a considerable increase in volume giving rise to a build-up of huge mechanical stresses and strains. These have an impact on the principal rechargeability of LIBs because they eventually block the reaction. Moreover, they might result in physical damage of the battery material. Of course, empirical measures have been taken in order to prevent this from happening, one based on choosing different designs of the to-be-charged silicon structure in terms of spheres, rods, honeycombs, etc., and the other consisting of turning to other host materials less brittle than Si. However, a thorough physically-based understanding of the mechano-chemically coupled process in terms of quantitative modeling is still at its infancy. Surely, there have been attempts at modeling the phenomenon. However, it is fair to say that joining the mechanical and thermochemical aspects has been accomplished on a rather phenomenological basis. In short: The corresponding theory was not built on solid ground by using fundamental thermodynamics principles. This is why we present this proposal. We shall, first, establish a consistent mechano-chemical theory. Second, this theory will be exploited analytically as well as numerically while being sure why and from where each term in the equations originates and how it contributes to the observed micromorphological changes in various anode materials of different structural design. Third, we shall compare and link our models to real custom-made experiments in order to improve its applicability not by adjusting coefficients but always by basing it on first principles. In the end we will possess a reliable tool to-be-used during the design process of future LIBs. Both research teams have many years of experience in these fields and complement each other both from the theoretical as well as from the experimental point-of-view. So far the Russian team has focused on, first, setting up thermodynamically consistent singular interface theories and, second, on applying them, for example, to the (qualitative) modeling of silicon oxidation. The German team contributes with expertise in, first, multi-component diffusion and phase-field modeling of the spinodal decomposition of eutectic tin-lead and silver copper solders, and, second, a strong experimentally as well as industrially based background to quantitative modeling in this field of continuum modeling.

基于连续介质物理的基本原理，通过定量建模来提高锂离子电池（LIBs）的性能。lib是重要的储能装置。它们在各种技术应用中都是必需的，例如便携式电子设备或车辆的动力。在充放电过程中，锂在阳极材料中的结合和去除必须被视为一种化学反应，伴随着体积的相当大的增加，从而引起巨大的机械应力和应变的积累。这些对lib的主要可充电性有影响，因为它们最终会阻止反应。此外，它们可能会导致电池材料的物理损坏。当然，为了防止这种情况的发生，已经采取了经验措施，一种是基于选择不同设计的被充电硅结构，如球体、棒、蜂窝状等，另一种是转向其他比硅更脆的宿主材料。然而，在定量建模方面，对机械-化学耦合过程的彻底的基于物理的理解仍处于起步阶段。当然，已经有人尝试对这一现象进行建模。然而，公平地说，机械和热化学方面的结合是在相当现象学的基础上完成的。简而言之：相应的理论并不是用基本的热力学原理建立在坚实的基础上的。这就是我们提出这项建议的原因。首先，我们要建立一个一致的力学-化学理论。其次，这一理论将在分析和数值上得到利用，同时确定方程中的每一项的起源原因和来源，以及它如何有助于观察到不同结构设计的各种阳极材料的微观形态变化。第三，我们应该将我们的模型与实际的定制实验进行比较和联系，以提高其适用性，而不是通过调整系数，而是始终基于第一性原理。最后，我们将拥有一个可靠的工具，在未来的lib设计过程中使用。两个研究团队在这些领域都有多年的经验，从理论和实验的角度来看都是互补的。到目前为止，俄罗斯团队的重点是，首先，建立热力学一致的单一界面理论，其次，应用它们，例如，硅氧化的（定性）建模。德国团队贡献了专业知识，首先，多组分扩散和共晶锡铅和银铜焊料的spinodal分解的相场建模，其次，在连续体建模领域的定量建模方面具有强大的实验和工业背景。