Reaction and Space Charge Layer Formation at the LiCoO2-LiPON Interface: Insights on Defect Formation and Ion Energy Level Alignment by a Combined Surface Science Simulation Approach
Reaction and Space Charge Layer Formation at the LiCoO2-LiPON Interface: Insights on Defect Formation and Ion Energy Level Alignment by a Combined Surface Science Simulation Approach
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DOI：
10.1021/acs.chemmater.7b00890
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发表时间：
2017-09-26
影响因子：
8.6
通讯作者：
Hausbrand, Rene
中科院分区：
文献类型：
--
作者：
Fingerle, Mathias;Buchheit, Roman;Hausbrand, Rene
在这方面的贡献，我们调查的形成和演变的LiCoO 2-LiPON界面退火后，使用光电子能谱。我们确定层间化合物的沉积过程和研究的化学反应，导致层间形成。基于原始界面的结构以及退火后的演变，我们将反应层和空间电荷层的形成与两种材料之间的化学势差联系起来。结果进行了讨论，在一个组合的锂离子和电子界面能级计划提供洞察到基本的电荷转移过程。在构建能级排列时，我们考虑了计算的阴极和固体电解质中锂的缺陷形成能。
In this contribution, we investigate the formation and evolution of LiCoO2-LiPON interfaces upon annealing using photoelectron spectroscopy. We identify interlayer compounds related to the deposition process and study the chemical reactions leading to interlayer formation. Based on the structure of the pristine interface as well as on its evolution upon annealing, we relate reaction layer and space charge layer formation to chemical potential differences between the two materials. The results are discussed in terms of a combined Li-ion and electron interface energy level scheme providing insights into fundamental charge transfer processes. In constructing the energy level alignment, we take into account calculated defect formation energies of lithium in the cathode and solid electrolyte.