Stability, composition and properties of Li2FeSiO4 surfaces studied by DFT

Enhanced Charge-Transfer Kinetics by Anion Surface Modification of LiFePO4

(2012) Kyu-Sung Park et al.   CHEMISTRY OF MATERIALS

Insights into Changes in Voltage and Structure of Li2FeSiO4 Polymorphs for Lithium-Ion Batteries

(2012) C. Eames et al.   CHEMISTRY OF MATERIALS

Crystal Structure, Energetics, And Electrochemistry of Li2FeSiO4 Polymorphs from First Principles Calculations

(2012) A. Saracibar et al.   CHEMISTRY OF MATERIALS

Progression of the silicate cathode materials used in lithium ion batteries

(2012) LiYing Bao et al.   CHINESE SCIENCE BULLETIN

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

(2012) Shyue Ping Ong et al.   COMPUTATIONAL MATERIALS SCIENCE

Electronic Structure Modeling of Electrochemical Reactions at Electrode/Electrolyte Interfaces in Lithium Ion Batteries

(2012) Kevin Leung   Journal of Physical Chemistry C

Analysis of the size effect of LiMnPO4 particles on the battery properties by using STEM-EELS

(2012) J. Yoshida et al.   JOURNAL OF POWER SOURCES

Structural properties and energetics of Li2FeSiO4 polymorphs and their delithiated products from first-principles

(2012) P. Zhang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Li2FeSiO4Polymorphs Probed by6Li MAS NMR and57Fe Mössbauer Spectroscopy

(2011) Gregor Mali et al.   CHEMISTRY OF MATERIALS

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

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

Polymorphism in Li2(Fe,Mn)SiO4: A combined diffraction and NMR study

(2011) Chutchamon Sirisopanaporn et al.   JOURNAL OF MATERIALS CHEMISTRY

Using Atomic Layer Deposition to Hinder Solvent Decomposition in Lithium Ion Batteries: First-Principles Modeling and Experimental Studies

(2011) Kevin Leung et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structure and Lithium Transport Pathways in Li2FeSiO4Cathodes for Lithium Batteries

(2011) A. Robert Armstrong et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electrostatic stability of insulating surfaces: Theory and applications

(2011) Massimiliano Stengel   PHYSICAL REVIEW B

Role of spin quantization in determining the thermodynamic properties of magnetic transition metals

(2011) F. Körmann et al.   PHYSICAL REVIEW B

Polymorphism and phase transformations of Li2−xFeSiO4(0⩽x⩽2) from first principles

(2011) Dong-Hwa Seo et al.   PHYSICAL REVIEW B

DFT+U study of defects in bulk rutile TiO2

(2010) Jess Stausholm-Møller et al.   JOURNAL OF CHEMICAL PHYSICS

Structural, Electronic, and Electrochemical Properties of Cathode Materials Li2MSiO4 (M = Mn, Fe, and Co): Density Functional Calculations

(2010) Guohua Zhong et al.   Journal of Physical Chemistry C

Dependence of Li2FeSiO4Electrochemistry on Structure

(2010) Chutchamon Sirisopanaporn et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Li-ion migration in Li2FeSiO4-related cathode materials: A DFT study

(2010) Anti Liivat et al.   SOLID STATE IONICS

On the Energetic Stability and Electrochemistry of Li2MnSiO4Polymorphs

(2008) M. E. Arroyo-deDompablo et al.   CHEMISTRY OF MATERIALS

Structural stabilities, electronic structures and lithium deintercalation in LixMSiO4 (M=Mn, Fe, Co, Ni): A GGA and GGA+U study

(2008) S.Q. Wu et al.   COMPUTATIONAL MATERIALS SCIENCE

Ab Initio Study of the Surface Properties and Nanoscale Effects of LiMnPO[sub 4]

(2008) L. Wang et al.   ELECTROCHEMICAL AND SOLID STATE LETTERS

Structure of Li2FeSiO4

(2008) Shin-ichi Nishimura et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Is it possible to prepare olivine-type LiFeSiO4?A joint computational and experimental investigation

(2008) M.E. Arroyo y de Dompablo et al.   SOLID STATE IONICS