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Citing Papers
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Electrodeposited Epitaxial Cu(100) on Si(100) and Lift-Off of Single Crystal-like Cu(100) Foils
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Platinum Metal Catalysts of High-Index Surfaces: From Single-Crystal Planes to Electrochemically Shape-Controlled Nanoparticles
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Finite Size Effects in Chemical Bonding: From Small Clusters to Solids
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Direct Control of Electron Transfer to the Surface-CO Bond on a Pt/TiO2Catalytic Diode
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Graphene-Like Two-Dimensional Materials
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Ammonia Electrosynthesis with High Selectivity under Ambient Conditions via a Li+ Incorporation Strategy
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On the effect of coverage-dependent adsorbate–adsorbate interactions for CO methanation on transition metal surfaces
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Design of electrocatalysts for oxygen- and hydrogen-involving energy conversion reactions
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Isolated Metal Atom Geometries as a Strategy for Selective Heterogeneous Hydrogenations
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Metal-Free Carbon Nanomaterials Become More Active than Metal Catalysts and Last Longer
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A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
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How covalence breaks adsorption-energy scaling relations and solvation restores them
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Metal-Free Catalysts for Oxygen Reduction Reaction
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Interface-Confined Ferrous Centers for Catalytic Oxidation
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Reactive Oxygen Species (ROS)-Based Nanomedicine
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The world of two-dimensional carbides and nitrides (MXenes)
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Oxygen Reduction by Homogeneous Molecular Catalysts and Electrocatalysts
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Active sites of nitrogen-doped carbon materials for oxygen reduction reaction clarified using model catalysts
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Catalysis Applications of Size-Selected Cluster Deposition
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Mechanism Switching of Ammonia Synthesis Over Ru-Loaded Electride Catalyst at Metal–Insulator Transition
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Reversible epitaxial electrodeposition of metals in battery anodes
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Stable Pd-Doped Ceria Structures for CH4 Activation and CO Oxidation
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Review on selective hydrogenation of nitroarene by catalytic, photocatalytic and electrocatalytic reactions
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Molecular engineering of Ni–/Co–porphyrin multilayers on reduced graphene oxide sheets as bifunctional catalysts for oxygen evolution and oxygen reduction reactions
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Promising prospects for 2D d2–d4M3C2transition metal carbides (MXenes) in N2capture and conversion into ammonia
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O2Activation by Metal Surfaces: Implications for Bonding and Reactivity on Heterogeneous Catalysts
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Synergistic crystal facet engineering and structural control of WO3 films exhibiting unprecedented photoelectrochemical performance
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Carbon Dioxide Conversion to Methanol over Size-Selected Cu4 Clusters at Low Pressures
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Perovskites in catalysis and electrocatalysis
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Quantum Chemical Studies of Mechanisms for Metalloenzymes
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Universal Brønsted-Evans-Polanyi Relations for C–C, C–O, C–N, N–O, N–N, and O–O Dissociation Reactions
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Theoretical Simulation of n-Alkane Cracking on Zeolites
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Works of Anders Hellman being referenced
Ammonia synthesis from first principles.
2005
Activation ofAl 2 O 3
2008
From Electronic Structure to Catalytic Activity: A Single Descriptor for Adsorption and Reactivity on Transition-Metal Carbides
2009
Efficient hydrogenation over single-site bimetallic RuSn clusters
2013
Photoelectrochemical Hydrogen Production on α‐Fe2O3 (0001): Insights from Theory and Experiments
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The Role of Surface States in the Oxygen Evolution Reaction on Hematite
2014
Predicting Catalysis: Understanding Ammonia Synthesis from First-Principles Calculations
2006
Low Temperature CO Oxidation over Supported Ultrathin MgO Films
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Mechanism for reversed photoemission core-level shifts of oxidized Ag
2012
Oxidation and reduction of Pd(100) and aerosol-deposited Pd nanoparticles
2011
Hydrogen Evolution Reaction for Vacancy‐Ordered i‐MXenes and the Impact of Proton Absorption into the Vacancies
2020
Ammonia Synthesis from First-Principles Calculations
2005 Science
Structural, Energetic, and Vibrational Properties of NOxAdsorption on Agn,n= 1−8
2007
Analysis of Porphyrines as Catalysts for Electrochemical Reduction of O2 and Oxidation of H2O
2013
Oxidation at the Subnanometer Scale
2014
Nonadiabaticity in the initial oxidation of Mg(0001): First-principles density-functional calculations
2005
Hydrogen-Induced Reconstruction of Cu(100): Two-Dimensional and One-Dimensional Structures of Surface Hydride
2014
Potential-energy surfaces for excited states in extended systems
2004
Charging of atoms, clusters, and molecules on metal-supported oxides: A general and long-ranged phenomenon
2008
Including lateral interactions into microkinetic models of catalytic reactions
2007
Correlating flat band and onset potentials for solar water splitting on model hematite photoanodes
2015
The Active Phase of Palladium during Methane Oxidation
2012
First-Principles Studies of NOxChemistry on Agn/α-Al2O3
2009
The Role of Surface States in the Oxygen Evolution Reaction on Hematite
2014