Standout Papers
Citation Impact
Citing Papers
Secondary aerosol formation from atmospheric reactions of aliphatic amines
2007
Electroreduction of carbon monoxide to liquid fuel on oxide-derived nanocrystalline copper
2014 StandoutNature
Phase-change materials for rewriteable data storage
2007 Standout
Anatase TiO2 single crystals with a large percentage of reactive facets
2008 StandoutNature
The mechanism of the protonation of metal (hydr)oxides in aqueous solutions studied for various interfacial/surface ionization models and physicochemical parameters: A critical review and a novel approach
2006
The calculations of excited-state properties with Time-Dependent Density Functional Theory
2012 Standout
Use of iron oxide nanomaterials in wastewater treatment: A review
2012 Standout
Changing the Activity of Electrocatalysts for Oxygen Reduction by Tuning the Surface Electronic Structure
2006 Standout
Many-Body Approximation Scheme beyond GW
2004
Emerging Solvent‐Induced Homochirality by the Confinement of Achiral Molecules Against a Solid Surface
2008 StandoutNobel
Role of axially coordinated surface sites for electrochemically controlled carbon monoxide adsorption on single crystal copper electrodes
2011
Stability of a Flexible Polar Ionic Crystal Surface: Metastable Alumina and One-Dimensional Surface Metallicity
2002
Slow Gold Adatom Diffusion on Graphene: Effect of Silicon Dioxide and Hexagonal Boron Nitride Substrates
2012 StandoutNobel
Phase Transitions of Bipartite Entanglement
2008 StandoutNobel
Structure of the Hydrated α-Al2O3(0001) Surface
2000 Science
Metallic Character of the Al2O3(0001)-(√31 × √31)R ± 9° Surface Reconstruction
2001
Electronic structure calculations with dynamical mean-field theory
2006 Standout
Systematic Vertex Corrections through Iterative Solution of Hedin's Equations Beyond theGW
1998
Composition, structure, and stability ofRuO 2 ( 110 )
2001 Standout
First-principles calculations for point defects in solids
2014 Standout
Toward the rational design of non-precious transition metal oxides for oxygen electrocatalysis
2015 Standout
Interaction of nanostructured metal overlayers with oxide surfaces
2007
Simulating the atomic layer deposition of alumina from first principles
2004
Active learning machine learns to create new quantum experiments
2018 StandoutNobel
Cu interactions with α-Al2O3(0001): effects of surface hydroxyl groups versus dehydroxylation by Ar-ion sputtering
2000
Diffusion of Al, O, Pt, Hf, and Y atoms on α-Al2O3(0001): implications for the role of alloying elements in thermal barrier coatings
2010
Conduction mechanisms in biphenyl dithiol single-molecule junctions
2012 StandoutNobel
Entanglement in many-body systems
2008 Standout
Density Functional Theory Study of Co, Rh, and Ir Atoms Deposited on the α-Al2O3(0001) Surface
2004
Gold Nanoparticles: Assembly, Supramolecular Chemistry, Quantum-Size-Related Properties, and Applications toward Biology, Catalysis, and Nanotechnology
2003 Standout
Surface properties of metastable alumina: A comparative study of κ- andα − Al 2 O 3
2003
Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles
2018 Standout
An overview of CO2 capture technologies
2010 Standout
Lowest-order corrections to the RPA polarizability andGWself-energy of a semiconducting wire
1996
Epitaxial growth and properties of thin film oxides
2000
Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications
2012 Standout
Molecular Dynamics Simulations of the Interactions between Platinum Clusters and Carbon Platelets
2008
Quantum simulation of the wavefunction to probe frustrated Heisenberg spin systems
2011 StandoutNobel
Electron-phonon interactions from first principles
2017 Standout
Quantum mechanical study of the coupling of plasmon excitations to atomic-scale electron transport
2011
Challenges for Density Functional Theory
2011 Standout
Band-Structure Picture for MnO Reexplored: A ModelGW
1995
Advances in the Development of Novel Cobalt Fischer−Tropsch Catalysts for Synthesis of Long-Chain Hydrocarbons and Clean Fuels
2007 Standout
Band Bending in Semiconductors: Chemical and Physical Consequences at Surfaces and Interfaces
2012 Standout
Oxygen-induced restructuring of rutile TiO2(110): formation mechanism, atomic models, and influence on surface chemistry
1999
First-Principles Molecular Dynamics Simulations of H2O on α-Al2O3(0001)
2000
Phase transitions and metastability in the distribution of the bipartite entanglement of a large quantum system
2010 StandoutNobel
Quantum simulation
2014 Standout
Oxygen-induced restructuring of the TiO2(110) surface: a comprehensive study
1999
Tuning the electronic behavior of Au nanoparticles with capping molecules
2002
Surface effects of ordering in binary alloys
1997
Surface Science Studies of the Photoactivation of TiO2New Photochemical Processes
2006 Standout
Surface chemistry of atomic layer deposition: A case study for the trimethylaluminum/water process
2005 Standout
Plasmons in Strongly Coupled Metallic Nanostructures
2011 Standout
How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels
2010 Standout
Light emission from a double-decker molecule on a metal surface
2011 StandoutNobel
Maximally localized Wannier functions: Theory and applications
2012 Standout
Colloquium: Area laws for the entanglement entropy
2010 Standout
Entropy-driven phase transitions of entanglement
2013 StandoutNobel
Electronic excitations: density-functional versus many-body Green’s-function approaches
2002 Standout
Inelastic effects in electron transport studied with wave packet propagation
2008
Identification of Highly Active Fe Sites in (Ni,Fe)OOH for Electrocatalytic Water Splitting
2015 Standout
Recent Developments in the Methods and Applications of the Bond Valence Model
2009 Standout
Complex organic molecules at metal surfaces: bonding, organisation and chirality
2003
Investigation of Pt particles on gold substrates by IR spectroscopy particle structure and catalytic activity
1998
Surface Structures in the SMSI State; Pd on (1 × 2) Reconstructed TiO2(110)
2002
Extraordinary Sunlight Absorption and One Nanometer Thick Photovoltaics Using Two-Dimensional Monolayer Materials
2013 Standout
VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code
2021 Standout
Ultrafine jagged platinum nanowires enable ultrahigh mass activity for the oxygen reduction reaction
2016 StandoutScience
Structure of an ultrathin TiOx film, formed by the strong metal support interaction (SMSI), on Pt nanocrystals on TiO2(110)
2001
Spectra and total energies from self-consistent many-body perturbation theory
1998
Microstructures and properties of high-entropy alloys
2013 Standout
Reflectance anisotropy spectroscopy of oriented films of semiconducting polymers
2000 StandoutNobel
Blowing the Fuse: Berry’s Phase and Runaway Vibrations in Molecular Conductors
2010
The surface science of titanium dioxide
2003 Standout
Quantum entanglement
2009 Standout
Assessment of theGWapproximation using Hubbard chains
1998
Conduction eigenchannels of atomic-sized contacts:Ab initioKKR Green’s function formalism
2007
Structural and electronic properties of protein/thiolate-protected gold nanocluster with “staple” motif: A XAS, L-DOS, and XPS study
2009
Adsorption of gold on stoichiometric and reduced rutile TiO2 (110) surfaces
2003
Electronic and Geometric Properties of Au Nanoparticles on Highly Ordered Pyrolytic Graphite (HOPG) Studied Using X-ray Photoelectron Spectroscopy (XPS) and Scanning Tunneling Microscopy (STM)
2005
Hubbard-corrected DFT energy functionals: The LDA+U description of correlated systems
2013
Self-consistent mean-field models for nuclear structure
2003 Standout
Maximally multipartite entangled states
2008 StandoutNobel
Planar superconducting resonators with internal quality factors above one million
2012 StandoutNobel
Atomically Precise Clusters of Noble Metals: Emerging Link between Atoms and Nanoparticles
2017 Standout
Cluster and periodic DFT calculations of adsorption and activation of CO2 on the Cu(hkl) surfaces
2004
Effect of the Environment onα − Al 2 O 3
2000
Works of Claudio Verdozzi being referenced
Dynamical Coulomb Blockade and the Derivative Discontinuity of Time-Dependent Density Functional Theory
2010
Palladium clusters on graphite: Evidence of resonant hybrid states in the valence and conduction bands
1990
Unusual Structural Relaxation for Rare-Earth Impurities in Sapphire:Ab InitioStudy of Lanthanum
1998
Extended Hubbard model with off-site interactions: Two-particle spectrum and Auger line shapes
1995
Auger spectroscopy of strongly correlated systems: present status and future trends
2001
Classical Nuclear Motion in Quantum Transport
2006
Two-particle spin entanglement in magnetic Anderson nanoclusters
2007
Ab initiostructural predictions for ultrathin aluminum oxide films on metallic substrates
1999
Photoemission and Auger CVV spectra of partially filled bands: A cluster approach
1986
Interaction between Metallic p Orbitals and the π Orbitals of Organic Molecules: The Binding between Ethylene and Aluminum
2001
Layer intermixing during metal/metal oxide adsorption: Ti/sapphire(0001)
2002
Evaluation ofGW
1995
Molecular orientation with visible light: Reflectance-anisotropy spectroscopy of 3-thiophene carboxylate on Cu(110) surfaces
1998
Comment on ‘‘Influence of matrix element effects in determining the density of states from photoemission spectra: CuPd alloy’’
1994
Sapphire (0001) Surface, Clean and withd
1999