Modeling interfaces between solids: Application to Li battery materials

Structural and electrolyte properties of Li 4 P 2 S 6

(2016) Zachary D. Hood et al.   SOLID STATE IONICS

Preparation and in-situ characterization of well-defined solid electrolyte/electrode interfaces in thin-film lithium batteries

(2016) Masakazu Haruta et al.   SOLID STATE IONICS

How Voltage Drops Are Manifested by Lithium Ion Configurations at Interfaces and in Thin Films on Battery Electrodes

(2015) Kevin Leung et al.   Journal of Physical Chemistry C

First-Principles Study of Redox End Members in Lithium–Sulfur Batteries

(2015) Haesun Park et al.   Journal of Physical Chemistry C

All Solid-State Lithium-Sulfur Battery Using a Glass-Type P2S5-Li2S Electrolyte: Benefits on Anode Kinetics

(2015) T. Yamada et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Space–Charge Layer Effect at Interface between Oxide Cathode and Sulfide Electrolyte in All-Solid-State Lithium-Ion Battery

(2014) Jun Haruyama et al.   CHEMISTRY OF MATERIALS

Theoretically Designed Li3PO4 (100)/LiFePO4 (010) Coherent Electrolyte/Cathode Interface for All Solid-State Li Ion Secondary Batteries

(2014) Masato Sumita et al.   Journal of Physical Chemistry C

Electrode-Electrolyte Interface for Solid State Li-Ion Batteries: Point Defects and Mechanical Strain

(2014) Santosh KC et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Metalization of Li2S particle surfaces in Li–S batteries

(2014) Yan-Xin Chen et al.   Nanoscale

Solid Electrolyte: the Key for High-Voltage Lithium Batteries

(2014) Juchuan Li et al.   Advanced Energy Materials

Interface structure of Nb films on single crystal MgO(100) and MgO(111) substrates

(2013) E.G. Fu et al.   ACTA MATERIALIA

Interface phenomena between Li anode and lithium phosphate electrolyte for Li-ion battery

(2013) Santosh K.C. et al.   JOURNAL OF POWER SOURCES

Anomalous High Ionic Conductivity of Nanoporous β-Li3PS4

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

The Li-Ion Rechargeable Battery: A Perspective

(2013) John B. Goodenough et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

First-principles study of fcc-Ag/bcc-Fe interfaces

(2013) Song Lu et al.   PHYSICAL REVIEW B

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

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

Structural and electronic properties of the Au(001)/Fe(001) interface from density functional theory calculations

(2012) Magali Benoit et al.   PHYSICAL REVIEW B

Surface effects on atomic diffusion in a superionic conductor: A molecular dynamics study of lithium oxide

(2012) Marc Hayoun et al.   SURFACE SCIENCE

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

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

Lithium Peroxide Surfaces Are Metallic, While Lithium Oxide Surfaces Are Not

(2011) Maxwell D. Radin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Modeling All-Solid-State Li-Ion Batteries

(2010) D. Danilov et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Challenges for Rechargeable Li Batteries†

(2009) John B. Goodenough et al.   CHEMISTRY OF MATERIALS

Density Functional Theory Study for the Stability and Ionic Conductivity of Li2O Surfaces

(2009) Mazharul M. Islam et al.   Journal of Physical Chemistry C

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Ab initiothermodynamics of lithium oxides: from bulk phases to nanoparticles

(2009) Nicola Seriani   NANOTECHNOLOGY