Thermodynamic and kinetic studies of LiNi0.5Co0.2Mn0.3O2 as a positive electrode material for Li-ion batteries using first principles

Copper Impurity Effects on LiNi1/3Mn1/3Co1/3O2 Cathode Material

(2015) Qina Sa et al.   ACS Applied Materials & Interfaces

Nickel-Rich Layered Lithium Transition-Metal Oxide for High-Energy Lithium-Ion Batteries

(2015) Wen Liu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Design of Nickel-rich Layered Oxides Using d Electronic Donor for Redox Reactions

(2015) Duho Kim et al.   CHEMISTRY OF MATERIALS

First-principles investigation on crystal, electronic structures and Diffusion barriers of NaNi 1/3 Co 1/3 Mn 1/3 O 2 for advanced rechargeable Na-ion batteries

(2015) Jingcang Su et al.   COMPUTATIONAL MATERIALS SCIENCE

Characterization and electrochemical performance of lithium-active titanium dioxide inlaid LiNi0.5Co0.2Mn0.3O2 material prepared by lithium residue-assisted method

(2015) Lingjun Li et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Classical and Quantum Modeling of Li and Na Diffusion in FePO4

(2015) Mudit Dixit et al.   Journal of Physical Chemistry C

van der Waals Interactions in Layered Lithium Cobalt Oxides

(2015) Muratahan Aykol et al.   Journal of Physical Chemistry C

Kinetics Tuning of Li-Ion Diffusion in Layered Li(NixMnyCoz)O2

(2015) Yi Wei et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Studies of Aluminum-Doped LiNi0.5Co0.2Mn0.3O2: Electrochemical Behavior, Aging, Structural Transformations, and Thermal Characteristics

(2015) D. Aurbach et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Improving the electrochemical properties of LiNi0.5Co0.2Mn0.3O2 at 4.6 V cutoff potential by surface coating with Li2TiO3 for lithium-ion batteries

(2015) Jing Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Lithium Migration Pathways and van der Waals Effects in the LiFeSO4OH Battery Material

(2014) Christopher Eames et al.   CHEMISTRY OF MATERIALS

Na-doped Ni-rich LiNi0.5Co0.2Mn0.3O2cathode material with both high rate capability and high tap density for lithium ion batteries

(2014) Weibo Hua et al.   DALTON TRANSACTIONS

Putting DFT to the Test: A First-Principles Study of Electronic, Magnetic, and Optical Properties of Co3O4

(2014) Vijay Singh et al.   Journal of Chemical Theory and Computation

Lithium and sodium battery cathode materials: computational insights into voltage, diffusion and nanostructural properties

(2013) M. Saiful Islam et al.   CHEMICAL SOCIETY REVIEWS

Study of the lithium/nickel ions exchange in the layered LiNi0.42Mn0.42Co0.16O2 cathode material for lithium ion batteries: experimental and first-principles calculations

(2013) Haijun Yu et al.   Energy & Environmental Science

Systematic First-Principles Investigation of Mixed Transition Metal Olivine Phosphates LiM1-yM′yPO4 (M/M′ = Mn, Fe, and Co) as Cathode Materials

(2013) Alina Osnis et al.   Journal of Physical Chemistry C

Understanding the Degradation Mechanisms of LiNi0.5 Co0.2 Mn0.3 O2 Cathode Material in Lithium Ion Batteries

(2013) Sung-Kyun Jung et al.   Advanced Energy Materials

Synthesis and electrochemical properties of graphene-modified LiCo1/3Ni1/3Mn1/3O2cathodes for lithium ion batteries

(2013) Jia-rui He et al.   RSC Advances

Electrical energy storage for transportation—approaching the limits of, and going beyond, lithium-ion batteries

(2012) Michael M. Thackeray et al.   Energy & Environmental Science

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

Is there a common theme behind the correlated-electron superconductivity in organic charge-transfer solids, cobaltates, spinels, and fullerides?

(2012) Sumit Mazumdar et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials

(2011) Shyue Ping Ong et al.   Energy & Environmental Science

Challenges in the development of advanced Li-ion batteries: a review

(2011) Vinodkumar Etacheri et al.   Energy & Environmental Science

Materials Challenges and Opportunities of Lithium Ion Batteries

(2011) Arumugam Manthiram   Journal of Physical Chemistry Letters

Opportunities and challenges for first-principles materials design and applications to Li battery materials

(2011) Gerbrand Ceder   MRS BULLETIN

Van der Waals density functionals applied to solids

(2011) Jiří Klimeš et al.   PHYSICAL REVIEW B

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Understanding the Shifts in the Redox Potentials of Olivine LiM1−yMyPO4 (M = Fe, Mn, Co, and Mg) Solid Solution Cathodes

(2010) T. Muraliganth et al.   Journal of Physical Chemistry C

LiMn0.8Fe0.2PO4: An Advanced Cathode Material for Rechargeable Lithium Batteries

(2009) Surendra K. Martha et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Challenges for Rechargeable Li Batteries†

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

Changes in the crystal and electronic structure of LiCoO2 and LiNiO2 upon Li intercalation and de-intercalation

(2009) Sonja Laubach et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Measurement of electron correlations inLixCoO2(x=0.0–0.35)usingC59onuclear magnetic resonance and nuclear quadrupole resonance techniques

(2009) S. Kawasaki et al.   PHYSICAL REVIEW B

Ab-initiosimulations of materials using VASP: Density-functional theory and beyond

(2008) Jürgen Hafner   JOURNAL OF COMPUTATIONAL CHEMISTRY