Karapin-Springorum Lukas, Sarycheva Asia, Dopilka Andrew, Cha Hyungyeon, Ihsan-Ul-Haq Muhammad, Larson Jonathan M, Kostecki Robert
Energy Storage & Distributed Resources Division, Lawrence Berkeley National Laboratory, Berkeley, California, 94720, USA.
Physics and Astronomy Department, Pomona College, Claremont, California, 91711, USA.
Sci Data. 2025 Jan 8;12(1):33. doi: 10.1038/s41597-024-04236-6.
Further improvements to lithium-ion and emerging battery technologies can be enabled by an improved understanding of the chemistry and working mechanisms of interphases that form at electrochemically active battery interfaces. However, it is difficult to collect and interpret spectra of interphases for several reasons, including the presence of a variety of compounds. To address this challenge, we herein present a vibrational spectroscopy and X-ray diffraction data library of ten compounds that have been identified as interphase constituents in lithium-ion or emerging battery chemistries. The data library includes attenuated total reflectance Fourier transform infrared spectroscopy, Raman spectroscopy, and X-ray diffraction data, collected in inert atmospheres provided by custom sample chambers. The data library presented in this work (and online repository) simplifies access to reference data that is otherwise either diffusely spread throughout the literature or non-existent, and provides energy storage researchers streamlined access to vital interphase-relevant data that can accelerate battery research efforts.
通过更好地理解在电化学活性电池界面形成的界面相的化学性质和工作机制，可以进一步改进锂离子电池和新兴电池技术。然而，由于包括存在多种化合物在内的几个原因，很难收集和解释界面相的光谱。为应对这一挑战，我们在此展示了一个包含十种化合物的振动光谱和X射线衍射数据库，这些化合物已被确定为锂离子电池或新兴电池化学中的界面相成分。该数据库包括在定制样品室提供的惰性气氛中收集的衰减全反射傅里叶变换红外光谱、拉曼光谱和X射线衍射数据。本工作中展示的数据库（以及在线存储库）简化了对参考数据的访问，否则这些数据要么分散在整个文献中，要么根本不存在，并为储能研究人员提供了对重要的与界面相相关的数据的简化访问，从而可以加速电池研究工作。
