First-principles study of native point defects in LiNi1/3Co1/3Mn1/3O2and Li2MnO3

Defect chemistry in layered transition-metal oxides from screened hybrid density functional calculations

(2014) Khang Hoang et al.   Journal of Materials Chemistry A

Effects of transition metal doping and surface treatment to improve the electrochemical performance of Li2MnO3

(2013) Soo Kim et al.   JOURNAL OF ELECTROCERAMICS

Density Functional Investigation on Li2MnO3

(2012) Ruijuan Xiao et al.   CHEMISTRY OF MATERIALS

Defect Chemistry in Layered LiMO2 (M = Co, Ni, Mn, and Li1/3Mn2/3) by First-Principles Calculations

(2012) Yukinori Koyama et al.   CHEMISTRY OF MATERIALS

Layered lithium transition metal oxide cathodes towards high energy lithium-ion batteries

(2012) Ping He et al.   JOURNAL OF MATERIALS CHEMISTRY

Atomistic Simulation Study of Mixed-Metal Oxide (LiNi1/3Co1/3Mn1/3O2) Cathode Material for Lithium Ion Battery

(2012) Sanghun Lee et al.   Journal of Physical Chemistry C

Structure, Electrode Voltage and Activation Energy of LiMnxCoyNi1-x-yO2Solid Solutions as Cathode Materials for Li Batteries from First-Principles

(2012) Gaixia Luo et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Tailoring Native Defects in LiFePO4: Insights from First-Principles Calculations

(2011) Khang Hoang et al.   CHEMISTRY OF MATERIALS

Detailed Studies of a High-Capacity Electrode Material for Rechargeable Batteries, Li2MnO3−LiCo1/3Ni1/3Mn1/3O2

(2011) Naoaki Yabuuchi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ambivalent Effect of Oxygen Vacancies on Li2MnO3: A First-Principles Study

(2011) Yasuharu Okamoto   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Structure of Li2MnO3 with different degrees of defects

(2009) A. Boulineau et al.   SOLID STATE IONICS

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

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

Semiconductor thermochemistry in density functional calculations

(2008) Stephan Lany   PHYSICAL REVIEW B

Thermodynamic stability, crystal structure, and cathodic performance of Lix(Mn1/3Co1/3Ni1/3)O2 depend on the synthetic process and Li content

(2008) Y IDEMOTO et al.   SOLID STATE IONICS