Crystal Surface and State of Charge Dependencies of Electrolyte Decomposition on LiMn2O4Cathode

Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways

(2014) Kiran Mathew et al.   JOURNAL OF CHEMICAL PHYSICS

Factors Influencing the Electrochemical Properties of High-Voltage Spinel Cathodes: Relative Impact of Morphology and Cation Ordering

(2013) Katharine R. Chemelewski et al.   CHEMISTRY OF MATERIALS

Toward First Principles Prediction of Voltage Dependences of Electrolyte/Electrolyte Interfacial Processes in Lithium Ion Batteries

(2013) Kevin Leung et al.   Journal of Physical Chemistry C

Oxidative Stability and Initial Decomposition Reactions of Carbonate, Sulfone, and Alkyl Phosphate-Based Electrolytes

(2013) Oleg Borodin et al.   Journal of Physical Chemistry C

Why Do Sulfone-Based Electrolytes Show Stability at High Voltages? Insight from Density Functional Theory

(2013) Yating Wang et al.   Journal of Physical Chemistry Letters

The importance of nonlinear fluid response in joint density-functional theory studies of battery systems

(2013) Deniz Gunceler et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Surface structure and equilibrium particle shape of the LiMn2O4spinel from first-principles calculations

(2013) Altaf Karim et al.   PHYSICAL REVIEW B

Mn(II) deposition on anodes and its effects on capacity fade in spinel lithium manganate–carbon systems

(2013) Chun Zhan et al.   Nature Communications

Octahedral and truncated high-voltage spinel cathodes: the role of morphology and surface planes in electrochemical properties

(2013) Katharine R. Chemelewski et al.   Journal of Materials Chemistry A

Evolution of Strategies for Modern Rechargeable Batteries

(2012) John B. Goodenough   ACCOUNTS OF CHEMICAL RESEARCH

Nanoporous LiMn2O4 nanosheets with exposed {111} facets as cathodes for highly reversible lithium-ion batteries

(2012) Weiwei Sun et al.   JOURNAL OF MATERIALS CHEMISTRY

Simulation of Aqueous Dissolution of Lithium Manganate Spinel from First Principles

(2012) R. Benedek et al.   Journal of Physical Chemistry C

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

(2012) Kevin Leung   Journal of Physical Chemistry C

First-Principles Modeling of the Initial Stages of Organic Solvent Decomposition on LixMn2O4(100) Surfaces

(2012) Kevin Leung   Journal of Physical Chemistry C

A Truncated Manganese Spinel Cathode for Excellent Power and Lifetime in Lithium-Ion Batteries

(2012) Joo-Seong Kim et al.   NANO LETTERS

Joint density functional theory of the electrode-electrolyte interface: Application to fixed electrode potentials, interfacial capacitances, and potentials of zero charge

(2012) Kendra Letchworth-Weaver et al.   PHYSICAL REVIEW B

Surface layer formation on Li1+xMn2O4−δ thin film electrodes during electrochemical cycling

(2011) F. Simmen et al.   ELECTROCHIMICA ACTA

Density Functional Theory Study of the Role of Anions on the Oxidative Decomposition Reaction of Propylene Carbonate

(2011) Lidan Xing et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Materials Challenges and Opportunities of Lithium Ion Batteries

(2011) Arumugam Manthiram   Journal of Physical Chemistry Letters

Simulation of the surface structure of lithium manganese oxide spinel

(2011) R. Benedek et al.   PHYSICAL REVIEW B

Van der Waals density functionals applied to solids

(2011) Jiří Klimeš et al.   PHYSICAL REVIEW B

Electrolyte Reactions with the Surface of High Voltage LiNi[sub 0.5]Mn[sub 1.5]O[sub 4] Cathodes for Lithium-Ion Batteries

(2010) Li Yang et al.   ELECTROCHEMICAL AND SOLID STATE LETTERS

Research progress in high voltage spinel LiNi0.5Mn1.5O4 material

(2010) R. Santhanam et al.   JOURNAL OF POWER SOURCES

Dynamic Structural Changes at LiMn2O4/Electrolyte Interface during Lithium Battery Reaction

(2010) Masaaki Hirayama et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Aspects of the Surface Layer Formation on Li[sub 1+x]Mn[sub 2]O[sub 4−δ] during Electrochemical Cycling

(2010) F. Simmen et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Ab initio molecular dynamics simulations of the initial stages of solid–electrolyte interphase formation on lithium ion battery graphitic anodes

(2010) Kevin Leung et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First-principles study ofγ-Al2O3(100) surface

(2009) C. Y. Ouyang et al.   PHYSICAL REVIEW B

Atomistic simulation of the surface structure of electrolytic manganese dioxide

(2009) R.R. Maphanga et al.   SURFACE SCIENCE

Nanomaterials for Rechargeable Lithium Batteries

(2008) Peter G. Bruce et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Nanostructured electrode materials for electrochemical energy storage and conversion

(2008) A. Manthiram et al.   Energy & Environmental Science

Model system-bath Hamiltonian and nonadiabatic rate constants for proton-coupled electron transfer at electrode-solution interfaces

(2008) Irina Navrotskaya et al.   JOURNAL OF CHEMICAL PHYSICS

Proton-Coupled Electron Transfer in Solution, Proteins, and Electrochemistry†

(2008) Sharon Hammes-Schiffer et al.   JOURNAL OF PHYSICAL CHEMISTRY B