相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways
Kiran Mathew et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Evolution of Strategies for Modern Rechargeable Batteries
John B. Goodenough
ACCOUNTS OF CHEMICAL RESEARCH (2013)
Factors Influencing the Electrochemical Properties of High-Voltage Spinel Cathodes: Relative Impact of Morphology and Cation Ordering
Katharine R. Chemelewski et al.
CHEMISTRY OF MATERIALS (2013)
Electronic Structure Modeling of Electrochemical Reactions at Electrode/Electrolyte Interfaces in Lithium Ion Batteries
Kevin Leung
JOURNAL OF PHYSICAL CHEMISTRY C (2013)
Toward First Principles Prediction of Voltage Dependences of Electrolyte/Electrolyte Interfacial Processes in Lithium Ion Batteries
Kevin Leung et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2013)
Oxidative Stability and Initial Decomposition Reactions of Carbonate, Sulfone, and Alkyl Phosphate-Based Electrolytes
Oleg Borodin et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2013)
Why Do Sulfone-Based Electrolytes Show Stability at High Voltages? Insight from Density Functional Theory
Yating Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)
The importance of nonlinear fluid response in joint density-functional theory studies of battery systems
Deniz Gunceler et al.
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2013)
Surface structure and equilibrium particle shape of the LiMn2O4 spinel from first-principles calculations
Altaf Karim et al.
PHYSICAL REVIEW B (2013)
Mn(II) deposition on anodes and its effects on capacity fade in spinel lithium manganate-carbon systems
Chun Zhan et al.
NATURE COMMUNICATIONS (2013)
Octahedral and truncated high-voltage spinel cathodes: the role of morphology and surface planes in electrochemical properties
Katharine R. Chemelewski et al.
JOURNAL OF MATERIALS CHEMISTRY A (2013)
Nanoporous LiMn2O4 nanosheets with exposed {111} facets as cathodes for highly reversible lithium-ion batteries
Weiwei Sun et al.
JOURNAL OF MATERIALS CHEMISTRY (2012)
Simulation of Aqueous Dissolution of Lithium Manganate Spinel from First Principles
R. Benedek et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
First-Principles Modeling of the Initial Stages of Organic Solvent Decomposition on LixMn2O4(100) Surfaces
Kevin Leung
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
A Truncated Manganese Spinel Cathode for Excellent Power and Lifetime in Lithium-Ion Batteries
Joo-Seong Kim et al.
NANO LETTERS (2012)
Joint density functional theory of the electrode-electrolyte interface: Application to fixed electrode potentials, interfacial capacitances, and potentials of zero charge
Kendra Letchworth-Weaver et al.
PHYSICAL REVIEW B (2012)
Surface layer formation on Li1+xMn2O4-δ thin film electrodes during electrochemical cycling
F. Simmen et al.
ELECTROCHIMICA ACTA (2011)
Density Functional Theory Study of the Role of Anions on the Oxidative Decomposition Reaction of Propylene Carbonate
Lidan Xing et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Materials Challenges and Opportunities of Lithium Ion Batteries
Arumugam Manthiram
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2011)
Simulation of the surface structure of lithium manganese oxide spinel
R. Benedek et al.
PHYSICAL REVIEW B (2011)
Van der Waals density functionals applied to solids
Jiri Klimes et al.
PHYSICAL REVIEW B (2011)
Quantum Chemistry Studies of the Oxidative Stability of Carbonate, Sulfone and Sulfonate-Based Electrolytes Doped with BF4-, PF6- Anions
Oleg Borodin et al.
NON-AQUEOUS ELECTROLYTES FOR LITHIUM BATTERIES (2011)
Electrolyte Reactions with the Surface of High Voltage LiNi0.5Mn1.5O4 Cathodes for Lithium-Ion Batteries
Li Yang et al.
ELECTROCHEMICAL AND SOLID STATE LETTERS (2010)
Research progress in high voltage spinel LiNi0.5Mn1.5O4 material
R. Santhanam et al.
JOURNAL OF POWER SOURCES (2010)
Dynamic Structural Changes at LiMn2O4/Electrolyte Interface during Lithium Battery Reaction
Masaaki Hirayama et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Aspects of the Surface Layer Formation on Li1+xMn2O4-delta during Electrochemical Cycling
F. Simmen et al.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2010)
Ab initio molecular dynamics simulations of the initial stages of solid-electrolyte interphase formation on lithium ion battery graphitic anodes
Kevin Leung et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
First-principles study of γ-Al2O3 (100) surface
C. Y. Ouyang et al.
PHYSICAL REVIEW B (2009)
Atomistic simulation of the surface structure of electrolytic manganese dioxide
R. R. Maphanga et al.
SURFACE SCIENCE (2009)
Nanomaterials for rechargeable lithium batteries
Peter G. Bruce et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)
Nanostructured electrode materials for electrochemical energy storage and conversion
A. Manthiram et al.
ENERGY & ENVIRONMENTAL SCIENCE (2008)
Model system-bath Hamiltonian and nonadiabatic rate constants for proton-coupled electron transfer at electrode-solution interfaces
Irina Navrotskaya et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Proton-Coupled Electron Transfer in Solution, Proteins, and Electrochemistry
Sharon Hammes-Schiffer et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
Why does the B3LYP hybrid functional fail for metals?
Joachim Paier et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Review on electrode-electrolyte solution interactions, related to cathode materials for Li-ion batteries
Doron Aurbach et al.
JOURNAL OF POWER SOURCES (2007)
Characterization of electrode/electrolyte interface with X-ray reflectometry and epitaxial-film LiMn2O4 electrode
Masaaki Hirayama et al.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2007)
Acetone as oxidative decomposition product in propylene carbonate containing battery electrolyte
J Ufheil et al.
ELECTROCHEMISTRY COMMUNICATIONS (2005)
In situ FT-IR measurement for electrochemical oxidation of electrolyte with ethylene carbonate and diethyl carbonate on cathode active material used in rechargeable lithium batteries
T Matsushita et al.
JOURNAL OF POWER SOURCES (2005)
Joint density-functional theory:: Ab initio study of Cr2O3 surface chemistry in solution
SA Petrosyan et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
Film formation at positive electrodes in lithium-ion batteries
A Wursig et al.
ELECTROCHEMICAL AND SOLID STATE LETTERS (2005)
Characterization of SEI layers on LiMn2O4 cathodes with in situ spectroscopic ellipsometry
JL Lei et al.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2005)
The cathode-electrolyte interface in the Li-ion battery
K Edström et al.
ELECTROCHIMICA ACTA (2004)
Van der Waals density functional for general geometries -: art. no. 246401
M Dion et al.
PHYSICAL REVIEW LETTERS (2004)
Nonaqueous liquid electrolytes for lithium-based rechargeable batteries
K Xu
CHEMICAL REVIEWS (2004)
Surface analysis of LiMn2O4 electrodes in carbonate-based electrolytes
T Eriksson et al.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2002)
Oxidation of propylene carbonate containing LiBF4 or LiPF6 on LiCoO2 thin film electrode for lithium batteries
K Kanamura et al.
ELECTROCHIMICA ACTA (2001)
Surface layer formation on thin-film LiMn2O4 electrodes at elevated temperatures
Y Matsuo et al.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2001)
Crystallographic facetting in solid-state reacted LiMn2O4 spinel powder
MR Huang et al.
APPLIED SURFACE SCIENCE (2001)
The study of the anodic stability of alkyl carbonate solutions by in situ FTIR spectroscopy, EQCM, NMR and MS
M Moshkovich et al.
JOURNAL OF ELECTROANALYTICAL CHEMISTRY (2001)
Electron-spin-resonance study of the reaction of electrolytic solutions on the positive electrode for lithium-ion secondary batteries
S Matsuta et al.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2001)
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
G Henkelman et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
The study of surface phenomena related to electrochemical lithium intercalation into LixMOy host materials (M = Ni, Mn)
D Aurbach et al.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2000)
SNIFTIRS investigation of the oxidative decomposition of organic-carbonate-based electrolytes for lithium-ion cells
F Joho et al.
ELECTROCHIMICA ACTA (2000)