Opportunities and challenges for first-principles materials design and applications to Li battery materials

Thermal stabilities of delithiated olivine MPO4 (M=Fe, Mn) cathodes investigated using first principles calculations

(2010) Shyue Ping Ong et al.   ELECTROCHEMISTRY COMMUNICATIONS

Surface adsorption and disordering in LiFePO4 based battery cathodes

(2009) Archana Kayyar et al.   APPLIED PHYSICS LETTERS

Thermal instability of Olivine-type LiMnPO4 cathodes

(2009) Guoying Chen et al.   JOURNAL OF POWER SOURCES

Phase Stability Study of Li[sub 1−x]MnPO[sub 4] (0≤x≤1) Cathode for Li Rechargeable Battery

(2009) Sung-Wook Kim et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Battery materials for ultrafast charging and discharging

(2009) Byoungwoo Kang et al.   NATURE

Li−Fe−P−O2 Phase Diagram from First Principles Calculations

(2008) Shyue Ping Ong et al.   CHEMISTRY OF MATERIALS