Surface phase diagram and stability of (001) and (111)LiMn2O4spinel oxides

Surface Structure Evolution of LiMn2O4 Cathode Material upon Charge/Discharge

(2014) Daichun Tang et al.   CHEMISTRY OF MATERIALS

Combined Computational and Experimental Study of Li Exchange Reaction at the Surface of Spinel LiMn2O4 as a Rechargeable Li-Ion Battery Cathode

(2014) Masanobu Nakayama et al.   Journal of Physical Chemistry C

Crystal Surface and State of Charge Dependencies of Electrolyte Decomposition on LiMn2O4Cathode

(2014) Nitin Kumar et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Local environment dependentGGA+Umethod for accurate thermochemistry of transition metal compounds

(2014) Muratahan Aykol et al.   PHYSICAL REVIEW B

Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)

(2013) James E. Saal et al.   JOM

Relative stability of normal vs. inverse spinel for 3d transition metal oxides as lithium intercalation cathodes

(2013) Jishnu Bhattacharya et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Surface structure and equilibrium particle shape of the LiMn2O4spinel from first-principles calculations

(2013) Altaf Karim et al.   PHYSICAL REVIEW B

New software tools for the calculation and display of isolated and attached interfacial-energy minimizing particle shapes

(2012) Rachel V. Zucker et al.   JOURNAL OF MATERIALS SCIENCE

A Truncated Manganese Spinel Cathode for Excellent Power and Lifetime in Lithium-Ion Batteries

(2012) Joo-Seong Kim et al.   NANO LETTERS

High-Throughput Computational Screening of New Li-Ion Battery Anode Materials

(2012) Scott Kirklin et al.   Advanced Energy Materials

VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data

(2011) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Simulation of the surface structure of lithium manganese oxide spinel

(2011) R. Benedek et al.   PHYSICAL REVIEW B

Formation enthalpies by mixing GGA and GGA+Ucalculations

(2011) Anubhav Jain et al.   PHYSICAL REVIEW B

Oxidation States of Mn Atoms at Clean and Al2O3-Covered LiMn2O4(001) Surfaces

(2010) C. Y. Ouyang et al.   Journal of Physical Chemistry C

Tailoring the Morphology of LiCoO2: A First Principles Study

(2009) Denis Kramer et al.   CHEMISTRY OF MATERIALS

Jahn–Teller distortion and electronic structure of LiMn2O4

(2008) C.Y. Ouyang et al.   JOURNAL OF ALLOYS AND COMPOUNDS