Citation Impact
Citing Papers
Universal energy-level alignment of molecules on metal oxides
2011
Anatase TiO2 single crystals with a large percentage of reactive facets
2008 StandoutNature
Reduction of the bulk modulus at high pressure in CrN
2009 StandoutNobel
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
2008 Standout
Efficient Intermolecular Charge Transport in Self-Assembled Fibers of Mono- and Bithiophene Bisurea Compounds
1999 StandoutNobel
Strongly Constrained and Appropriately Normed Semilocal Density Functional
2015 Standout
Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential
2009 Standout
Metallic-Type Oscillatory Interlayer Exchange Coupling across an Epitaxial FeSi Spacer
2001 StandoutNobel
Enhanced Pressure Dependence of Magnetic Exchange inA 2 + [ V 2 ] O 4
2007 StandoutNobel
Climbing the Density Functional Ladder: Nonempirical Meta–Generalized Gradient Approximation Designed for Molecules and Solids
2003 Standout
Electrical Energy Storage for the Grid: A Battery of Choices
2011 StandoutScience
Rationale for mixing exact exchange with density functional approximations
1996 Standout
High‐Performance Shortwave‐Infrared Light‐Emitting Devices Using Core–Shell (PbS–CdS) Colloidal Quantum Dots
2015 StandoutNobel
Theory of X-Ray Photoemission and X-Ray Emission Spectra in Mn Compounds
1997
Effect of GGA on the half-metallicity of the itinerant ferromagnetCoS 2
2001
Effect of Fock exchange on the electronic structure and magnetic coupling in NiO
2002
Electrochemical Energy Storage for Green Grid
2011 Standout
Crystal Chemistry of the Olivine-Type Li(Mn[sub y]Fe[sub 1−y])PO[sub 4] and (Mn[sub y]Fe[sub 1−y])PO[sub 4] as Possible 4 V Cathode Materials for Lithium Batteries
2001
Electron-Induced Oxygen Desorption from the TiO 2 (011)-2×1 Surface Leads to Self-Organized Vacancies
2007 Science
Oxidation of Alcohols with Molecular Oxygen on Solid Catalysts
2004 Standout
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
2007 Standout
The electronic structure and band gap of LiFePO4 and LiMnPO4
2004
Metal-insulator transitions
1998 Standout
Magnetism in FeO at Megabar Pressures from X-Ray Emission Spectroscopy
1999 StandoutNobel
Bonding of NO to NiO(100) and NixMg1−xO(100) surfaces: A challenge for theory
2002
30 Years of Lithium‐Ion Batteries
2018 Standout
Photoswitchable coordination compounds
2001
Kβ resonant x-ray emission spectra inMnF 2
2000 StandoutNobel
First Principles Study on Factors Determining Battery Voltages of LiMO2 (M=Ti-Ni)
1999
Comparison between exact and semilocal exchange potentials: An all-electron study for solids
2015
Effect of Al2O3 Coating on Stabilizing LiNi0.4Mn0.4Co0.2O2 Cathodes
2015 StandoutNobel
Importance of the Kinetic Energy Density for Band Gap Calculations in Solids with Density Functional Theory
2017
Electronic Structure and Properties of Solids
1996
Electric field gradients in cuprates: Does LDA+U give the correct charge distribution?
2004
Orbital and spin orderings inYVO 3 LaVO 3
1996
Electronic and local structural changes with lithium-ion insertion in TiO2-B: X-ray absorption spectroscopy study
2011
Hybrid exchange-correlation energy functionals for strongly correlated electrons: Applications to transition-metal monoxides
2006
Microscopic environment of Fe in epitaxially stabilizedc − FeSi
1999
2002
Valence Band Structure and X-ray Spectra of Oxygen-Deficient Ferrites SrFeOx
2010
Ab initiocalculation of the lithium-tin voltage profile
1998
Magnetic Collapse and the Behavior of Transition Metal Oxides: FeO at High Pressures
1997
Graphene-Like Two-Dimensional Materials
2013 Standout
Toward reliable density functional methods without adjustable parameters: The PBE0 model
1999 Standout
From ultrasoft pseudopotentials to the projector augmented-wave method
1999 Standout
First-principles modeling of localizedd G W @ LDA + U
2010
DFT calculations of solids with LAPW and WIEN2k
2003
Local structure and magnetic behaviour of Fe-doped TiO2anatase nanoparticles: experiments and calculations
2008
Mechanisms and Performances of Na1.5Fe0.5Ti1.5(PO4)3/C Composite as Electrode Material for Na-Ion Batteries
2015
WIEN2k: An APW+lo program for calculating the properties of solids
2020 Standout
Dioxygen Activation at Mononuclear Nonheme Iron Active Sites: Enzymes, Models, and Intermediates
2004 Standout
Electronic, Optical, and Magnetic Properties of LiFePO4: Small Magnetic Polaron Effects
2007 StandoutNobel
Electronic structure of solids with WIEN2k
2010
Density functional calculations of nuclear quadrupole coupling constants in the zero-order regular approximation for relativistic effects
2000
Chemistry with ADF
2001 Standout
An Aqueous Symmetric Sodium‐Ion Battery with NASICON‐Structured Na3MnTi(PO4)3
2016 StandoutNobel
Pressure-Induced High-Spin to Low-Spin Transition in FeS Evidenced by X-Ray Emission Spectroscopy
1999 StandoutNobel
Approximations to the exact exchange potential: KLI versus semilocal
2016
Solid-State Chemistry and Electrochemistry of LiCo[sub 1∕3]Ni[sub 1∕3]Mn[sub 1∕3]O[sub 2] for Advanced Lithium-Ion Batteries
2007
Assessment of DFT functionals with NMR chemical shifts
2013
Voltage-Driven Conformational Switching with Distinct Raman Signature in a Single-Molecule Junction
2018 StandoutNobel
Density functional calculations on the charge-ordered and valence-mixed modification ofYBaFe 2 O 5
2009
Identification of Highly Active Fe Sites in (Ni,Fe)OOH for Electrocatalytic Water Splitting
2015 Standout
Band gap calculations with Becke–Johnson exchange potential
2007
Development and challenges of LiFePO4cathode material for lithium-ion batteries
2010 StandoutNobel
Escaping the symmetry dilemma through a pair-density interpretation of spin-density functional theory
1995
Optimized LiFePO[sub 4] for Lithium Battery Cathodes
2001 Standout
Oxidation energies of transition metal oxides within theGGA + U
2006 Standout
Alloy Negative Electrodes for Li-Ion Batteries
2014 Standout
Magnetic Collapse in Transition Metal Oxides at High Pressure: Implications for the Earth
1997 Science
Spin-Transfer Pathways in Paramagnetic Lithium Transition-Metal Phosphates from Combined Broadband Isotropic Solid-State MAS NMR Spectroscopy and DFT Calculations
2012 StandoutNobel
Precise Control and Consecutive Modulation of Spin Transition Temperature Using Chemical Migration in Porous Coordination Polymers
2011 StandoutNobel
Theory of Spin-Dependent X-Ray Excitation Spectra in MnF2
1996
Mixed-Valent {FeIV(μ-O)(μ-carboxylato)2FeIII}3+ Core
2003
Cohesive energy of 3dtransition metals: Density functional theory atomic and bulk calculations
1996
Design and control of gas diffusion process in a nanoporous soft crystal
2019 StandoutScienceNobel
Advanced Nanoarchitectures for Solar Photocatalytic Applications
2011 Standout
Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional
1999 Standout
Absorption of CO2 and CS2 into the Hofmann-Type Porous Coordination Polymer: Electrostatic versus Dispersion Interactions
2013 StandoutNobel
Solid state calculations using WIEN2k
2003 Standout
Sodium Extraction from NASICON-Structured Na3MnTi(PO4)3 through Mn(III)/Mn(II) and Mn(IV)/Mn(III) Redox Couples
2016 StandoutNobel
Lithium Batteries and Cathode Materials
2004 StandoutNobel
Iron and Manganese Pyrophosphates as Cathodes for Lithium-Ion Batteries
2010 StandoutNobel
Band Theory for Ground-State Properties and Excitation Spectra of PerovskiteLa M O 3 M =
1995
Gaussian-basis LDA and GGA calculations for alkali-metal equations of state
1998
Conversion Reaction Mechanisms in Lithium Ion Batteries: Study of the Binary Metal Fluoride Electrodes
2011 StandoutNobel
Ultimate Limits to Intercalation Reactions for Lithium Batteries
2014 StandoutNobel
Perovskites in catalysis and electrocatalysis
2017 StandoutScience
First-Principles Investigation of the Li−Fe−F Phase Diagram and Equilibrium and Nonequilibrium Conversion Reactions of Iron Fluorides with Lithium
2008
Metal Oxides and Oxysalts as Anode Materials for Li Ion Batteries
2013 Standout
Conducting‐Polymer/Iron‐Redox‐ Couple Composite Cathodes for Lithium Secondary Batteries
2007 StandoutNobel
Generalized gradient approximation for the exchange-correlation hole of a many-electron system
1996 Standout
How Close Are the Slater and Becke–Roussel Potentials in Solids?
2015
Works of Philipp Dufek being referenced
Determination of the Nuclear Quadrupole Moment of57
1995
Electronic structure of 3d-transition-metal oxides: on-site Coulomb repulsion versus covalency
1999
Average Voltage, Energy Density, and Specific Energy of Lithium‐Ion Batteries: Calculation Based on First Principles
1997
Generalized-gradient-approximation description of band splittings in transition-metal oxides and fluorides
1994
Theoretical investigation of the pressure-induced metallization and the collapse of the antiferromagnetic state ofNiI 2
1995
Applications of Engel and Vosko’s generalized gradient approximation in solids
1994
Electronic and magnetic structure ofMnF 2 NiF 2
1993