High-throughput design and optimization of fast lithium ion conductors by the combination of bond-valence method and density functional theory

Screening possible solid electrolytes by calculating the conduction pathways using Bond Valence method

(2014) Jian Gao et al.   Science China-Physics Mechanics & Astronomy

Strain tuned Li diffusion in LiCoO2 material for Li ion batteries: A first principles study

(2014) Fanghua Ning et al.   SOLID STATE IONICS

Progress and prospective of solid-state lithium batteries

(2013) Kazunori Takada   ACTA MATERIALIA

Anomalous High Ionic Conductivity of Nanoporous β-Li3PS4

(2013) Zengcai Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structures, Li+mobilities, and interfacial properties of solid electrolytes Li3PS4and Li3PO4from first principles

(2013) N. D. Lepley et al.   PHYSICAL REVIEW B

Physics towards next generation Li secondary batteries materials: A short review from computational materials design perspective

(2013) ChuYing Ouyang et al.   Science China-Physics Mechanics & Astronomy

Density Functional Investigation on Li2MnO3

(2012) Ruijuan Xiao et al.   CHEMISTRY OF MATERIALS

A generalized solid-state nudged elastic band method

(2012) Daniel Sheppard et al.   JOURNAL OF CHEMICAL PHYSICS

Electrolytes for solid-state lithium rechargeable batteries: recent advances and perspectives

(2011) Eliana Quartarone et al.   CHEMICAL SOCIETY REVIEWS

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

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

A lithium superionic conductor

(2011) Noriaki Kamaya et al.   NATURE MATERIALS

High power lithium ion battery materials by computational design

(2011) Stefan Adams et al.   PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE

Structure and dynamics of the fast lithium ion conductor “Li7La3Zr2O12”

(2011) Henrik Buschmann et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electrical Energy Storage for the Grid: A Battery of Choices

(2011) B. Dunn et al.   SCIENCE

Crystal structure and phase transitions of the lithium ionic conductor Li3PS4

(2010) Kenji Homma et al.   SOLID STATE IONICS

Recent Developments in the Methods and Applications of the Bond Valence Model

(2009) Ian David Brown   CHEMICAL REVIEWS

First principles computational materials design for energy storage materials in lithium ion batteries

(2009) Ying Shirley Meng et al.   Energy & Environmental Science

Synthesis and structure analysis of tetragonal Li7La3Zr2O12 with the garnet-related type structure

(2009) Junji Awaka et al.   JOURNAL OF SOLID STATE CHEMISTRY

Transport pathways for mobile ions in disordered solids from the analysis of energy-scaled bond-valence mismatch landscapes

(2009) Stefan Adams et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

Migration maps of Li+ cations in oxygen-containing compounds

(2008) N ANUROVA et al.   SOLID STATE IONICS