Orientation dependence of Li–ion diffusion kinetics in LiCoO2 thin films prepared by RF magnetron sputtering
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May 2008 |
Generalized Polak-Ribi�re algorithm
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November 1992 |
Dendrite formation in silicon anodes of lithium-ion batteries
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January 2018 |
Batteries: Getting solid
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April 2016 |
Investigating the effects of vacancies on self-diffusion in silicon clusters using classical molecular dynamics
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September 2018 |
Chemical Reaction of Lithium Surface during Immersion in LiClO4 or LiPF6 / DEC Electrolyte
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June 1997 |
Surface characterization of emulsified lithium powder electrode
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November 2004 |
Reductive Decomposition Reactions of Ethylene Carbonate by Explicit Electron Transfer from Lithium: An eReaxFF Molecular Dynamics Study
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November 2016 |
Rational Syntheses and Structural Characterization of Sulfur-Rich Phosphorus Polysulfides: α-P2S7 and β-P2S7
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September 2011 |
High-Energy-Density Solid-Electrolyte-Based Liquid Li-S and Li-Se Batteries
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January 2020 |
Solid Electrolyte: the Key for High-Voltage Lithium Batteries
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October 2014 |
Hoover NPT dynamics for systems varying in shape and size
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February 1993 |
Dynamics of homogeneous nucleation
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October 2015 |
Benchmark calculations with correlated molecular wave functions. IV. The classical barrier height of the H+H 2 →H 2 +H reaction
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May 1994 |
Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals
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January 1985 |
The role of energy storage in deep decarbonization of electricity production
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July 2019 |
Fast Parallel Algorithms for Short-Range Molecular Dynamics
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March 1995 |
XPS Analysis of Lithium Surfaces Following Immersion in Various Solvents Containing LiBF[sub 4]
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January 1995 |
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
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January 1989 |
First Principles Study of the Li10GeP2S12 Lithium Super Ionic Conductor Material
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December 2011 |
A Leap-frog Algorithm for Stochastic Dynamics
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March 1988 |
Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions
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May 1992 |
An introduction to the thermodynamic and macrostate levels of nonequivalent ensembles
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September 2004 |
Overcharge reaction of lithium-ion batteries
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August 2005 |
Preparation of Li7P2S8I Solid Electrolyte and Its Application in All-Solid-State Lithium-Ion Batteries with Graphite Anode
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April 2019 |
High-power all-solid-state batteries using sulfide superionic conductors
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March 2016 |
Systematic molecular dynamics studies of liquid N,N-dimethylformamide using optimized rigid force fields: Investigation of the thermodynamic, structural, transport and dynamic properties
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May 2000 |
Effect of surface modification using various acids on electrodeposition of lithium
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June 1995 |
Second wind of the Dulong-Petit law at a quantum critical point
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October 2010 |
XPS study of lithium surface after contact with lithium-salt doped polymer electrolytes
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March 2001 |
Shadow Hamiltonian in classical NVE molecular dynamics simulations: A path to long time stability
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January 2020 |
Dendrite formation in Li-metal anodes: an atomistic molecular dynamics study
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January 2019 |
Density‐functional thermochemistry. III. The role of exact exchange
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April 1993 |
A molecular dynamics method for simulations in the canonical ensemble
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June 1984 |
Exploring interfacial stability of solid-state electrolytes at the lithium-metal anode surface
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August 2018 |
Generalized gradient approximation for the exchange-correlation hole of a many-electron system
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December 1996 |
Analysis of a Li-Ion Nanobattery with Graphite Anode Using Molecular Dynamics Simulations
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June 2017 |
Electron Transport and Electrolyte Reduction in the Solid-Electrolyte Interphase of Rechargeable Lithium Ion Batteries with Silicon Anodes
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August 2016 |
Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications
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October 2019 |
Dissociation of Liquid Silica at High Pressures and Temperatures
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July 2006 |
Role of Inorganic Surface Layer on Solid Electrolyte Interphase Evolution at Li-Metal Anodes
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August 2019 |
X-Ray Photoelectron Spectroscopic Analysis and Scanning Electron Microscopic Observation of the Lithium Surface Immersed in Nonaqueous Solvents
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January 1994 |
Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg
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January 1985 |
Thermodynamic versus statistical nonequivalence of ensembles for the mean-field Blume–Emery–Griffiths model
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April 2004 |
First-Principles Characterization of the Unknown Crystal Structure and Ionic Conductivity of Li 7 P 2 S 8 I as a Solid Electrolyte for High-Voltage Li Ion Batteries
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June 2016 |
Ab Initio Study of the Interface of the Solid-State Electrolyte Li 9 N 2 Cl 3 with a Li-Metal Electrode
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January 2019 |
XPS analysis for the lithium surface immersed in γ-butyrolactone containing various salts
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May 1995 |
A Mixed Lithium‐Ion Conductive Li 2 S/Li 2 Se Protection Layer for Stable Lithium Metal Anode
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April 2020 |
Possible Polymerization of PS 4 at a Li 3 PS 4 /FePO 4 Interface with Reduction of the FePO 4 Phase
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April 2017 |
XPS analysis of a lithium surface immersed in propylene carbonate solution containing various salts
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July 1992 |
Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool
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December 2009 |
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
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September 1992 |
Controlling Dendrite Growth in Solid-State Electrolytes
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February 2020 |
An Iodide-Based Li 7 P 2 S 8 I Superionic Conductor
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January 2015 |
Molecular dynamics simulations of the first charge of a Li-ion—Si-anode nanobattery
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March 2017 |
Ab initio effective core potentials for molecular calculations. Potentials for main group elements Na to Bi
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January 1985 |
Constant pressure-constant temperature molecular dynamics: a correct constrained NPT ensemble using the molecular virial
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March 2003 |
Energy distribution function for the NVT canonical ensemble
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April 1981 |
Simulations of a LiF Solid Electrolyte Interphase Cracking on Silicon Anodes Using Molecular Dynamics
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January 2018 |
Structure-based virtual screening to identify novel carnitine acetyltransferase activators
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November 2020 |
Heat capacity and the equipartition theorem
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December 1972 |
Investigation of the influence of lattice anharmonicity on the heat capacities of diamond, silicon, and germanium
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March 2017 |
VMD: Visual molecular dynamics
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February 1996 |
Self-assembly of supported lipid multi-bilayers investigated by time-resolved X-ray diffraction
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November 2020 |
Lithium-Ion Model Behavior in an Ethylene Carbonate Electrolyte Using Molecular Dynamics
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July 2016 |