The electrode/electrolyte interface - a status report
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journal
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July 1993 |
Electrolytes for Lithium and Lithium-Ion Batteries
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book
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January 2014 |
Some challenges in the first-principles modeling of structures and processes in electrochemical energy storage and transfer
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journal
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February 2015 |
Nonaqueous Liquid Electrolytes for Lithium-Based Rechargeable Batteries
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journal
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October 2004 |
A review of the features and analyses of the solid electrolyte interphase in Li-ion batteries
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journal
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September 2010 |
The Study of Surface Phenomena Related to Electrochemical Lithium Intercalation into Li[sub x]MO[sub y] Host Materials (M = Ni, Mn)
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journal
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January 2000 |
State of charge (SOC) dependence of lithium carbonate on LiNi0.8Co0.15Al0.05O2 electrode for lithium-ion batteries
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journal
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August 2011 |
Surface Film Formation on LiNi[sub 0.8]Co[sub 0.15]Al[sub 0.05]O[sub 2] Cathodes Using Attenuated Total Reflection IR Spectroscopy
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journal
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January 2004 |
A FTIR and Raman study of spontaneous reactions occurring at the LiNiyCo(1−y)O2 electrode/non-aqueous electrolyte interface
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journal
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March 2001 |
Surface Analysis of LiMn[sub 2]O[sub 4] Electrodes in Carbonate-Based Electrolytes
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journal
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January 2002 |
Influence of Temperature on the Interface Chemistry of Li x Mn 2 O 4 Electrodes
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journal
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April 2002 |
Aspects of the Surface Layer Formation on Li[sub 1+x]Mn[sub 2]O[sub 4−δ] during Electrochemical Cycling
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journal
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January 2010 |
Interfacial side-reactions at a LiNi0.5Mn1.5O4 electrode in organic carbonate-based electrolytes
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journal
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September 2013 |
First-Principles Modeling of the Initial Stages of Organic Solvent Decomposition on Li x Mn 2 O 4 (100) Surfaces
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journal
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April 2012 |
Crystal Surface and State of Charge Dependencies of Electrolyte Decomposition on LiMn 2 O 4 Cathode
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journal
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January 2014 |
Artificial Solid Electrolyte Interphase To Address the Electrochemical Degradation of Silicon Electrodes
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journal
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June 2014 |
Enhanced Stability of LiCoO2 Cathodes in Lithium-Ion Batteries Using Surface Modification by Atomic Layer Deposition
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journal
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January 2010 |
Ultrathin Direct Atomic Layer Deposition on Composite Electrodes for Highly Durable and Safe Li-Ion Batteries
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journal
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April 2010 |
Ultrathin Multifunctional Oxide Coatings for Lithium Ion Batteries
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journal
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July 2011 |
In Situ Transmission Electron Microscopy Observation of Pulverization of Aluminum Nanowires and Evolution of the Thin Surface Al 2 O 3 Layers during Lithiation–Delithiation Cycles
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journal
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October 2011 |
Nanoscale Interface Modification of LiCoO 2 by Al 2 O 3 Atomic Layer Deposition for Solid-State Li Batteries
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journal
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January 2012 |
Li–O2 and Li–S batteries with high energy storage
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journal
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January 2012 |
Solvents’ Critical Role in Nonaqueous Lithium–Oxygen Battery Electrochemistry
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journal
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May 2011 |
Mapping Li + Concentration and Transport via In Situ Confocal Raman Microscopy
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journal
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May 2014 |
In Situ Determination of the Liquid/Solid Interface Thickness and Composition for the Li Ion Cathode LiMn 1.5 Ni 0.5 O 4
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journal
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October 2014 |
A Sealed Liquid Cell for In Situ Transmission Electron Microscopy of Controlled Electrochemical Processes
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journal
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August 2015 |
Space–Charge Layer Effect at Interface between Oxide Cathode and Sulfide Electrolyte in All-Solid-State Lithium-Ion Battery
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journal
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July 2014 |
Structures, Li mobilities, and interfacial properties of solid electrolytes Li PS and Li PO from first principles
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journal
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September 2013 |
Interface phenomena between Li anode and lithium phosphate electrolyte for Li-ion battery
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journal
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December 2013 |
Electronic Spin Transition in Nanosize Stoichiometric Lithium Cobalt Oxide
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journal
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March 2012 |
First Principles Simulations of the Electrochemical Lithiation and Delithiation of Faceted Crystalline Silicon
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journal
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August 2012 |
Surface structure and equilibrium particle shape of the LiMn O spinel from first-principles calculations
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journal
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February 2013 |
First-principles study of surface properties of : Surface energy, structure, Wulff shape, and surface redox potential
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journal
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October 2007 |
Defect Chemistry, Surface Structures, and Lithium Insertion in Anatase TiO 2
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journal
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May 2006 |
Lithium transport within the solid electrolyte interphase
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journal
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October 2011 |
A Reversible and Higher-Rate Li-O2 Battery
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journal
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July 2012 |
Computer Modeling of Crystalline Electrolytes: Lithium Thiophosphates and Phosphates
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journal
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January 2012 |
DFT+U Study of Polaronic Conduction in Li 2 O 2 and Li 2 CO 3 : Implications for Li–Air Batteries
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journal
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March 2013 |
Lattice dynamics, thermodynamics and elastic properties of monoclinic Li2CO3 from density functional theory
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journal
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August 2012 |
Defect Thermodynamics and Diffusion Mechanisms in Li 2 CO 3 and Implications for the Solid Electrolyte Interphase in Li-Ion Batteries
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journal
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March 2013 |
Electrical and Lithium Ion Dynamics in Three Main Components of Solid Electrolyte Interphase from Density Functional Theory Study
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journal
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March 2011 |
Li Ion Diffusion Mechanisms in Bulk Monoclinic Li 2 CO 3 Crystals from Density Functional Studies
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journal
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October 2010 |
Ab initio quantum-mechanical modeling of the (001), and (110) surfaces of zabuyelite (Li2CO3)
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journal
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July 2007 |
Dynamic Structural Changes at LiMn 2 O 4 /Electrolyte Interface during Lithium Battery Reaction
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journal
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November 2010 |
Surface Dipoles and Work Functions of Alkylthiolates and Fluorinated Alkylthiolates on Au(111)
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journal
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November 2006 |
Challenges in the first-principles description of reactions in electrocatalysis
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journal
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May 2011 |
Alignment of electronic energy levels at electrochemical interfaces
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journal
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January 2012 |
Transparent Conducting Oxides for Photovoltaics: Manipulation of Fermi Level, Work Function and Energy Band Alignment
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journal
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November 2010 |
Electronic Processes at Organic−Organic Interfaces: Insight from Modeling and Implications for Opto-electronic Devices †
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journal
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February 2011 |
Understanding the Interface Dipole of Copper Phthalocyanine (CuPc)/C 60 : Theory and Experiment
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journal
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July 2012 |
Formation of an electric dipole at metal-semiconductor interfaces
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journal
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November 2001 |
The physics and chemistry of the Schottky barrier height
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journal
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January 2014 |
Ab initio study of lithium intercalation in metal oxides and metal dichalcogenides
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journal
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July 1997 |
Ab initio calculation of the lithium-tin voltage profile
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journal
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December 1998 |
Recharging lithium battery research with first-principles methods
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journal
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March 2011 |
First principles computational materials design for energy storage materials in lithium ion batteries
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journal
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January 2009 |
Hydration layer structure at solid–water interfaces
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journal
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December 2014 |
Intrinsic Acidity of Surface Sites in Calcium Silicate Hydrates and Its Implication to Their Electrokinetic Properties
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journal
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May 2014 |
Aqueous Redox Chemistry and the Electronic Band Structure of Liquid Water
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journal
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November 2012 |
Electronic structure of acetonitrile adsorbed on the anatase TiO2 (101) surface
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journal
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January 2013 |
First-Principles Molecular Dynamics at a Constant Electrode Potential
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journal
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December 2012 |
Improved modeling of electrified interfaces using the effective screening medium method
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journal
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October 2013 |
Avoiding pitfalls in the modeling of electrochemical interfaces
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journal
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January 2013 |
Towards first principles modeling of electrochemical electrode–electrolyte interfaces
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journal
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January 2015 |
Joint density functional theory of the electrode-electrolyte interface: Application to fixed electrode potentials, interfacial capacitances, and potentials of zero charge
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journal
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August 2012 |
First principles reaction modeling of the electrochemical interface: Consideration and calculation of a tunable surface potential from atomic and electronic structure
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journal
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April 2006 |
Simulating Linear Sweep Voltammetry from First-Principles: Application to Electrochemical Oxidation of Water on Pt(111) and Pt 3 Ni(111)
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journal
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February 2012 |
Toward First Principles Prediction of Voltage Dependences of Electrolyte/Electrolyte Interfacial Processes in Lithium Ion Batteries
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journal
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November 2013 |
Predicting the voltage dependence of interfacial electrochemical processes at lithium-intercalated graphite edge planes
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journal
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January 2015 |
Density Functional Theory Study of the Role of Anions on the Oxidative Decomposition Reaction of Propylene Carbonate
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journal
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December 2011 |
Why Silver Deposition is so Fast: Solving the Enigma of Metal Deposition
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journal
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June 2013 |
Electrolytic Conditioning of a Magnesium Aluminum Chloride Complex for Reversible Magnesium Deposition
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journal
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November 2014 |
Energies of ions in water and nanopores within density functional theory
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journal
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October 2007 |
Surface energies, work functions, and surface relaxations of low-index metallic surfaces from first principles
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journal
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December 2009 |
First-principles prediction of redox potentials in transition-metal compounds with
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journal
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December 2004 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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journal
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October 1996 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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journal
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January 1999 |
Why does the B3LYP hybrid functional fail for metals?
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journal
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July 2007 |
Generalized Gradient Approximation Made Simple
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journal
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October 1996 |
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
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journal
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January 1998 |
Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111)
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journal
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December 1992 |
Electronic Structure Modeling of Electrochemical Reactions at Electrode/Electrolyte Interfaces in Lithium Ion Batteries
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journal
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December 2012 |
Electrode Dynamics from First Principles
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journal
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February 2008 |
Thermodynamics of Lithium Storage at Abrupt Junctions: Modeling and Experimental Evidence
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journal
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May 2014 |
Atomistic Modeling of the Electrode–Electrolyte Interface in Li-Ion Energy Storage Systems: Electrolyte Structuring
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journal
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February 2013 |