Probing calcium solvation by XAS, MD and DFT calculations
Feipeng Yang, Yi‐Sheng Liu, Xuefei Feng, Kun Qian, Li Cheng Kao, Yang Ha, Nathan Hahn, Trevor J. Seguin, Mesfin Tsige, Wanli Yang, Kevin R. Zavadil, Kristin A. Persson, Jinghua Guo
Abstract
The solvation shell structures of Ca<sup>2+</sup> in solutions are probed by calcium L-edge soft X-ray XAS and DFT/MD simulations.
Topics & Concepts
SolvationX-ray absorption spectroscopyChemistryElectrochemistryElectrolyteAbsorption spectroscopyMoleculeSolvation shellSteric effectsSolventSolvated electronAnalytical Chemistry (journal)Inorganic chemistryElectrodePhysical chemistryAqueous solutionChemical physicsStereochemistryOrganic chemistryRadiolysisPhysicsQuantum mechanicsElectrochemical Analysis and ApplicationsQuantum Dots Synthesis And PropertiesAdvancements in Battery Materials