Structural evolution of electrode materials and mitigation of degradation by mn-trapping in li-ion batteries via complementary characterization methods and mathematical modeling

建议的研究项目建立在我们的多所大学团队在开发锂离子电池(LiB)材料分析的高级表征、诊断和建模策略方面的成功基础上。通过加拿大汽车合作伙伴关系(APC)计划(2012-2016)，我们强调了方法开发。在拟议的新的四年计划中，我们将利用APC计划的结果来解决一系列技术挑战和相关的科学问题，我们的工业合作伙伴通用汽车(GM)已将这些问题确定为新电动汽车电池开发的关键障碍，这种电池可以以实际成本提供更高的能量密度。这些挑战包括需要高容量的正(阴)极和负极(负)电极材料，以提高LIBS的能量密度，以满足美国能源部关于下一代电动汽车电池的能源和能量密度目标(分别为350WH/kg和750WH/L)，以及需要延长所有正极材料中含有锰化合物的LIBS的使用寿命。克服这些挑战需要更全面地了解这些LiB材料随着时间的推移的性能，因此，GM非常需要详细描述电池单元材料在循环过程中的结构和化学演变。通用汽车一直在寻求与我们的多学科团队合作--目前由电子显微镜、核磁共振、电化学和数学建模领域的领导者组成。该项目的目标是全面了解以下材料中发生的结构变化：(1)高能镍锰钴氧化物(HE-NMC)正极材料；(2)钛掺杂高压锂镍锰氧化物(LNMO)正极材料；(3)使用阳离子螯合聚合物的这两种正极材料的锰中毒缓解；以及(4)一氧化硅(Si-Ox)负极材料。我们建议利用我们团队在国际上享有盛誉的一套先进的表征策略，将电极材料表征为成分和循环条件的函数。********

The proposed research projects build on our multi-university team's success with regard to developing advanced characterization, diagnostic and modeling strategies for lithium ion battery (LIB) material analysis. Through the Automotive Partnerships Canada (APC) program (2012-2016) we emphasized methods development. In the proposed, new 4-year program, we will employ the findings of our APC program to resolve a series of technical challenges, and associated scientific problems, that our industrial partner, General Motors (GM), has identified as key impediments to the development of new electrified vehicle batteries that can provide increased energy density at a practical cost. These challenges include the need for high capacity positive (cathode) and negative (anode) electrode materials that will enable increased energy density in LIBs that satisfy the United States Department of Energy's energy and energy density targets for next generation EV batteries (350 Wh/kg and 750 Wh/l, respectively) and the need to increase the useful life of all LIBs that contain Mn compounds in their positive electrode materials. Overcoming these challenges requires a fuller understanding of the performance of these LIB materials over time and, therefore, GM vitally needs a detailed characterization of the structural and chemical evolution of battery cell materials upon cycling. GM has pursued a collaboration with our multi-disciplinary team - comprised, as it is, of leaders in the fields of electron microscopy, nuclear magnetic resonance; electrochemistry and mathematical modelling. The objective of the project is to develop a full understanding of the structural changes that occur within the following materials (1) high-energy nickel-managanese-cobalt oxide (HE-NMC) cathode materials; (2) titanium-doped high voltage lithium nickel manganese oxide spinel (LNMO) cathode materials; (3) the mitigation of Mn-poisoning for both of these cathode materials using cation chelating polymers; and (4) Silicon-monoxide (Si-Ox) anode materials. We propose to characterize electrode materials as a function of composition, and cycling conditions, utilizing the set of advanced characterization strategies for which our team has developed an international reputation. ********