@article{873e6d28e35c4f649b7212048f5129a7,
title = "Probing calcium solvation by XAS, MD and DFT calculations",
abstract = "The solvation shell structures of Ca2+ in aqueous and organic solutions probed by calcium L-edge soft X-ray absorption spectroscopy (XAS) and DFT/MD simulations show the coordination number of Ca2+ to be negatively correlated with the electrolyte concentration and the steric hindrance of the solvent molecule. In this work, the calcium L-edge soft XAS demonstrates its sensitivity to the surrounding chemical environment. Additionally, the total electron yield (TEY) mode is surface sensitive because the electron penetration depth is limited to a few nanometers. Thus this study shows its implications for future battery studies, especially for probing the electrolyte/electrode interface for electrochemical reactions under in situ/operando conditions.",
author = "Feipeng Yang and Liu, {Yi Sheng} and Xuefei Feng and Kun Qian and Kao, {Li Cheng} and Yang Ha and Hahn, {Nathan T.} and Seguin, {Trevor J.} and Mesfin Tsige and Wanli Yang and Zavadil, {Kevin R.} and Persson, {Kristin A.} and Jinghua Guo",
note = "Funding Information: This work was supported by the Joint Center for Energy Storage Research, an Energy Innovation Hub funded by the U.S. Department of Energy. This research used resources of the Advanced Light Source, a DOE Office of Science User facility under contract no. DE-AC02-05CH11231. K. Q. and M. T. acknowledge support from NSF (CHE-1665284). This research used resources of the National Energy Research Scientic Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. Publisher Copyright: {\textcopyright} The Royal Society of Chemistry.",
year = "2020",
month = jul,
day = "14",
doi = "10.1039/d0ra05905f",
language = "English",
volume = "10",
pages = "27315--27321",
journal = "RSC Advances",
issn = "2046-2069",
publisher = "Royal Society of Chemistry",
number = "46",
}