Dr. Yi Xiao
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undergraduate studies:
Chemistry, Department of Science, Agricultural University of Hebei, China. September 2007 - July 2011.
Postgraduate studies:
Physical Chemistry, School of Chemistry and Chemical Engineering, Southwest University, China, September 2011 - July 2014.
Research Projects:
Catalysts for ORR and OER, Metal Air Battery,Energy Storage Device.
Academic Thesis:
Theoretical research of hydrogen bond and intermolecular weak interactions, electronic properties and excitation spectrum
Publications:
1. Electrical structures, magnetic polaron and lithium ion dynamics in three transition metal doped LiFe1 − xMxPO4 (M = Mn, Co and La) cathode material for Li ion batteries from density functional theory study.
Yi Xiao , Fu Chun Zhang, Jeong In Han.
Solid State Ionics 294 (2016) 73–81.
2. Ab initio study of the electronic structure, magnetic and dynamics properties in LiMO2 and NaMO2 (M]V and Cr) as electrode cathode material for batteries.
Yi Xiao,, Yang Liu , Nti Frederick , Fu Chun Zhang,
Solid State Ionics 307 (2017) 26–34
3. Synthesis, characterization and lithium-ion migration dynamics simulation of LiFe1-xTxPO4 (T = Mn, Co, La and Ce) doping cathode material for lithium-ion batteries
Yi Xiao, Fu Chun Zhang, Jeong In Han.
Appl. Phys. A (2016) 122:980.
Experience in DFT Codes and software：
VASP, VESTA, Materials Studio, Gaussian09.