Unraveling the Effects of Al Doping on the Electrochemical Properties of LiNi0.5Co0.2Mn0.3O2Using First Principles

Suppressing the Phase Transition of the Layered Ni-Rich Oxide Cathode during High-Voltage Cycling by Introducing Low-Content Li2MnO3

(2016) Jun Yang et al.   ACS Applied Materials & Interfaces

Stability of Prismatic and Octahedral Coordination in Layered Oxides and Sulfides Intercalated with Alkali and Alkaline-Earth Metals

(2016) Maxwell D. Radin et al.   CHEMISTRY OF MATERIALS

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

(2016) Mudit Dixit et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Stabilizing nickel-rich layered cathode materials by a high-charge cation doping strategy: zirconium-doped LiNi0.6Co0.2Mn0.2O2

(2016) Florian Schipper et al.   Journal of Materials Chemistry A

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

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

Electron Spectroscopy Study of Li[Ni,Co,Mn]O2/Electrolyte Interface: Electronic Structure, Interface Composition, and Device Implications

(2015) Gennady Cherkashinin et al.   CHEMISTRY OF MATERIALS

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

Review—High-Capacity Li[Ni1-xCox/2Mnx/2]O2(x= 0.1, 0.05, 0) Cathodes for Next-Generation Li-Ion Battery

(2015) Chong S. Yoon et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Calibrating transition-metal energy levels and oxygen bands in first-principles calculations: Accurate prediction of redox potentials and charge transfer in lithium transition-metal oxides

(2015) Dong-Hwa Seo et al.   PHYSICAL REVIEW B

Successes and failures of Hubbard-corrected density functional theory: The case of Mg doped LiCoO2

(2014) Juan A. Santana et al.   JOURNAL OF CHEMICAL PHYSICS

Computational and Experimental Investigation of Ti Substitution in Li1(NixMnxCo1–2x–yTiy)O2 for Lithium Ion Batteries

(2014) Isaac M. Markus et al.   Journal of Physical Chemistry Letters

First-principles study of native point defects in LiNi1/3Co1/3Mn1/3O2and Li2MnO3

(2014) Min Sik Park   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

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

Correlating Structural Changes and Gas Evolution during the Thermal Decomposition of Charged LixNi0.8Co0.15Al0.05O2 Cathode Materials

(2013) Seong-Min Bak et al.   CHEMISTRY OF MATERIALS

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

Effects of Al-doping on the properties of Li–Mn–Ni–O cathode materials for Li-ion batteries: an ab initio study

(2013) Arezoo Dianat et al.   Journal of Materials Chemistry A

Influence of doping on the cation ordering and charge–discharge behavior of LiMn1.5Ni0.5−xMxO4 (M = Cr, Fe, Co, and Ga) spinels between 5.0 and 2.0 V

(2013) Eun-Sung Lee et al.   Journal of Materials Chemistry A

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

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

Calculations of Oxygen Stability in Lithium-Rich Layered Cathodes

(2012) Penghao Xiao 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

Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets

(2011) Volker L. Deringer et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Materials Challenges and Opportunities of Lithium Ion Batteries

(2011) Arumugam Manthiram   Journal of Physical Chemistry Letters

Effect of Aluminum Substitution on the Structure, Electrochemical Performance and Thermal Stability of Li1+x(Ni0.40Mn0.40Co0.20−zAlz)1−xO2

(2011) L. Croguennec et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Stability and Rate Capability of Al Substituted Lithium-Rich High-Manganese Content Oxide Materials for Li-Ion Batteries

(2011) Zheng Li et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

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

(2011) Gerbrand Ceder   MRS BULLETIN

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

Electronic structure ofLiCoO2thin films: A combined photoemission spectroscopy and density functional theory study

(2010) David Ensling et al.   PHYSICAL REVIEW B

Challenges for Rechargeable Li Batteries†

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

A grid-based Bader analysis algorithm without lattice bias

(2009) W Tang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Recent developments in cathode materials for lithium ion batteries

(2009) Jeffrey W. Fergus   JOURNAL OF POWER SOURCES

Synthesis of “Li[sub 1.1](Ni[sub 0.425]Mn[sub 0.425]Co[sub 0.15])[sub 0.9]O[sub 1.8]F[sub 0.2]” Materials by Different Routes: Is There Fluorine Substitution for Oxygen?

(2009) L. Croguennec et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Cycle-Life Characterization of Automotive Lithium-Ion Batteries with LiNiO[sub 2] Cathode

(2009) Yancheng Zhang et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

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

The effect of Al substitution on the reactivity of delithiated LiNi1/3Mn1/3Co(1/3−z)AlzO2 with non-aqueous electrolyte

(2008) Fu Zhou et al.   ELECTROCHEMISTRY COMMUNICATIONS