Generalized Gradient Approximation Made Simple
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October 1996 |
Modeling doped and defective oxides in catalysis with density functional theory methods: Room for improvements
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May 2008 |
Improved capacity retention in rechargeable 4 V lithium/lithium-manganese oxide (spinel) cells
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April 1994 |
Projector augmented-wave method
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December 1994 |
The electrochemical behavior of selected polar aprotic systems
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February 1989 |
High magnesium mobility in ternary spinel chalcogenides
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November 2017 |
(Sub)surface-Promoted Disproportionation and Absolute Band Alignment in High-Power LiMn 2 O 4 Cathodes
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September 2015 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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January 1999 |
High Cycling Stability and Extreme Rate Performance in Nanoscaled LiMn 2 O 4 Thin Films
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September 2015 |
Accelerating Electrolyte Discovery for Energy Storage with High-Throughput Screening
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January 2015 |
Materials for electrochemical capacitors
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November 2008 |
The Electrolyte Genome project: A big data approach in battery materials discovery
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June 2015 |
Improved hybrid functional for solids: The HSEsol functional
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January 2011 |
Metal ion-coupled and decoupled electron transfer
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February 2010 |
Lithium recovery from brine using a λ-MnO2/activated carbon hybrid supercapacitor system
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April 2015 |
A Truncated Manganese Spinel Cathode for Excellent Power and Lifetime in Lithium-Ion Batteries
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February 2012 |
Simple model of multiple charge states of transition-metal impurities in semiconductors
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March 1976 |
First principles high throughput screening of oxynitrides for water-splitting photocatalysts
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January 2013 |
Supercapacitor Behavior with KCl Electrolyte
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April 1999 |
Phospho-olivines as Positive-Electrode Materials for Rechargeable Lithium Batteries
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April 1997 |
First-principles calculations for defects and impurities: Applications to III-nitrides
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April 2004 |
Surface and Interface Engineering of Electrode Materials for Lithium-Ion Batteries
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October 2014 |
Electrochemistry of Manganese Dioxide in Lithium Nonaqueous Cell
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January 1989 |
Solubility of Flaws in Heavily-Doped Semiconductors
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September 1960 |
Manganese oxides for lithium batteries
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January 1997 |
The Isoelectric Points of Solid Oxides, Solid Hydroxides, and Aqueous Hydroxo Complex Systems
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April 1965 |
Structural and electrochemical properties of the proton / γ-MnO2 system
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January 1995 |
Random-phase approximation and its applications in computational chemistry and materials science
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June 2012 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
Challenges in the development of advanced Li-ion batteries: a review
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January 2011 |
Thermal stabilities of delithiated olivine MPO4 (M=Fe, Mn) cathodes investigated using first principles calculations
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March 2010 |
First-principles calculations for point defects in solids
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March 2014 |
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
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April 2008 |
A Unified pH Scale for All Phases
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August 2010 |
Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry
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March 2017 |
High-throughput computational design of cathode coatings for Li-ion batteries
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December 2016 |
Preparation of a new crystal form of manganese dioxide: λ-MnO2
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September 1981 |
Factors Influencing the Electrochemical Properties of High-Voltage Spinel Cathodes: Relative Impact of Morphology and Cation Ordering
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July 2013 |
Structuring materials for lithium-ion batteries: advancements in nanomaterial structure, composition, and defined assembly on cell performance
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January 2014 |
The role of cations of the electrolyte for the pseudocapacitive behavior of metal oxide electrodes, MnO2 and RuO2
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November 2004 |
Charge self-regulation upon changing the oxidation state of transition metals in insulators
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June 2008 |
Prediction of solid-aqueous equilibria: Scheme to combine first-principles calculations of solids with experimental aqueous states
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June 2012 |
Defect Formation Energies without the Band-Gap Problem: Combining Density-Functional Theory and the Approach for the Silicon Self-Interstitial
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January 2009 |
Surface Engineering Strategies of Layered LiCoO 2 Cathode Material to Realize High-Energy and High-Voltage Li-Ion Cells
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October 2016 |
Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput ab Initio Calculations
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August 2011 |
Electronic Structure, Total Energies, and Abundances of the Elementary Point Defects in GaAs
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September 1985 |
pH in Grand Canonical Statistics of an Electrochemical Interface
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December 2016 |
Electrochemical Quartz Crystal Microbalance for Insertion/Extraction of Lithium in Spinel LiMn 2 O 4 Thin Films
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July 1999 |
Absolute Potential of the Standard Hydrogen Electrode and the Problem of Interconversion of Potentials in Different Solvents
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June 2010 |
The pursuit of solid-state electrolytes for lithium batteries: from comprehensive insight to emerging horizons
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January 2016 |
Efficient Capacitive Deionization Using Thin Film Sodium Manganese Oxide
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January 2018 |
Sodium Charge Storage in Thin Films of MnO 2 Derived by Electrochemical Oxidation of MnO Atomic Layer Deposition Films
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January 2015 |
Octahedral and truncated high-voltage spinel cathodes: the role of morphology and surface planes in electrochemical properties
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January 2013 |
Surface Structure, Morphology, and Stability of Li(Ni 1/3 Mn 1/3 Co 1/3 )O 2 Cathode Material
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April 2017 |
Charge storage in oxygen deficient phases of TiO2: defect Physics without defects
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July 2016 |
First principles computational materials design for energy storage materials in lithium ion batteries
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January 2009 |
Computational screening of perovskite metal oxides for optimal solar light capture
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January 2012 |
Band-edge levels in semiconductors and insulators: Hybrid density functional theory versus many-body perturbation theory
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July 2012 |
Accurate gap levels and their role in the reliability of other calculated defect properties
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March 2011 |
Revealing the Conversion Mechanism of Transition Metal Oxide Electrodes during Lithiation from First-Principles
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October 2017 |
Fast Li-Ion Insertion into Nanosized LiMn 2 O 4 without Domain Boundaries
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January 2010 |
Nano LiMn2O4 as cathode material of high rate capability for lithium ion batteries
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January 2012 |
Determination of the Point-Of-Zero Charge of Manganese Oxides with Different Methods Including an Improved salt Titration Method
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January 2008 |
Theory of multiple proton–electron transfer reactions and its implications for electrocatalysis
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January 2013 |
First-Principles Prediction of Vacancy Order-Disorder and Intercalation Battery Voltages in
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July 1998 |
Effect of alkaline and alkaline–earth cations on the supercapacitor performance of MnO2 with various crystallographic structures
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January 2013 |
Effect of Crystallographic Structure of MnO 2 on Its Electrochemical Capacitance Properties
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February 2008 |
Achieving electrochemical capacitor functionality from nanoscale LiMn2O4 coatings on 3-D carbon nanoarchitectures
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January 2013 |
Band Diagram and Rate Analysis of Thin Film Spinel LiMn 2 O 4 Formed by Electrochemical Conversion of ALD-Grown MnO
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September 2016 |
Chemical potential dependence of defect formation energies in GaAs: Application to Ga self-diffusion
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October 1991 |
Review on recent progress of nanostructured anode materials for Li-ion batteries
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July 2014 |
High-throughput ab initio screening of binary solid solutions in olivine phosphates for Li-ion battery cathodes
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October 2013 |
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
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July 2013 |
Charge Storage in Cation Incorporated α-MnO 2
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February 2015 |
The importance of nonlinear fluid response in joint density-functional theory studies of battery systems
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October 2013 |
Phase-controlled synthesis of polymorphic MnO 2 structures for electrochemical energy storage
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January 2015 |
The Coupling between Stability and Ion Pair Formation in Magnesium Electrolytes from First-Principles Quantum Mechanics and Classical Molecular Dynamics
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journal
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February 2015 |
Li−Fe−P−O 2 Phase Diagram from First Principles Calculations
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February 2008 |
Surface and Interface Issues in Spinel LiNi 0.5 Mn 1.5 O 4 : Insights into a Potential Cathode Material for High Energy Density Lithium Ion Batteries
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May 2016 |
Promoted Electrochemical Performance of β-MnO 2 through Surface Engineering
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April 2017 |
Nanostructured materials for advanced energy conversion and storage devices
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May 2005 |
Anomalous Pseudocapacitive Behavior of a Nanostructured, Mixed-Valent Manganese Oxide Film for Electrical Energy Storage
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June 2012 |
Growth of Pt Nanowires by Atomic Layer Deposition on Highly Ordered Pyrolytic Graphite
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January 2013 |
A Stoichiometric Nano-LiMn 2 O 4 Spinel Electrode Exhibiting High Power and Stable Cycling
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September 2008 |
Assessing capability of semiconductors to split water using ionization potentials and electron affinities only
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January 2014 |
Charge Storage Mechanism of MnO 2 Electrode Used in Aqueous Electrochemical Capacitor
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August 2004 |
Surface Mn Oxidation State Controlled Spinel LiMn 2 O 4 as a Cathode Material for High-Energy Li-Ion Batteries
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May 2015 |
Emerging Applications of Atomic Layer Deposition for Lithium-Ion Battery Studies
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June 2012 |
Batteries for lithium recovery from brines
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January 2012 |
Dynamic imaging of metastable reaction pathways in lithiated cobalt oxide electrodes
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February 2018 |
Synthesis and Characterization of Nano-MnO[sub 2] for Electrochemical Supercapacitor Studies
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January 2008 |
Highly selective lithium recovery from brine using a λ-MnO2–Ag battery
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January 2013 |
Electrochemistry of Manganese Dioxide in Lithium Nonaqueous Cell: II . X‐Ray Diffractional and Electrochemical Characterization on Deep Discharge Products of Electrolytic Manganese Dioxide
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January 1990 |
Standard hydrogen electrode and potential of zero charge in density functional calculations
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September 2011 |
Self-consistent calculations for semiconductors and insulators
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June 2007 |
Deriving accurate work functions from thin-slab calculations
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January 1999 |
Sedimentary archaeal amoA gene abundance reflects historic nutrient level and salinity fluctuations in Qinghai Lake, Tibetan Plateau
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December 2015 |
Band-edge problem in the theoretical determination of defect energy levels: The O vacancy in ZnO as a benchmark case
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September 2011 |
Reducing Dzyaloshinskii-Moriya interaction and field-free spin-orbit torque switching in synthetic antiferromagnets
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May 2021 |
Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect
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journal
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February 2020 |
Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput Ab Initio Calculations
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journal
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August 2011 |
Random-phase approximation and its applications in computational chemistry and materials science
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text
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January 2012 |
The importance of nonlinear fluid response in joint density-functional theory studies of battery systems
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text
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January 2013 |
Charge storage in oxygen deficient phases of TiO$_2$: defect Physics without defects
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preprint
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January 2016 |
Grand canonical electronic density-functional theory: algorithms and applications to electrochemistry
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text
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January 2017 |