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Different Surface Chemistries of Water on Ru{0001}: From Monomer Adsorption to Partially Dissociated Bilayers

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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The vibrational spectra of water cluster molecules on Pt(111) surface at 20 K

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Structural Isotope Effect in Water Bilayers Adsorbed on Ru(001)

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E LECTRONIC S TRUCTURE AND C ATALYSIS ON M ETAL S URFACES

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Solids and Surfaces: A Chemist's View of Bonding in Extended Structures

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How to Gain Atomistic Insights on Reactions at the Water/Solid Interface?

inferred← citeshttps://doi.org/10.1021/acscatal.2c04726openalex-snapshot

Oriented Conversion of a LA/HMF Mixture to GVL and FDCA in a Biphasic Solvent over a Ru Single-Atom/Nanoparticle Dual-Site Catalyst

inferred← citeshttps://doi.org/10.1021/acscatal.5b00707openalex-snapshot

Why Is Ruthenium an Efficient Catalyst for the Aqueous-Phase Hydrogenation of Biosourced Carbonyl Compounds?

inferred← citeshttps://doi.org/10.1021/acscatal.6c01347openalex-snapshot

Atomistic Insights into Aqueous Phase Carbonyl Hydrogenation over Ru Catalysts from a Hybrid Quantum Mechanical/Molecular Mechanical/Machine Learning Potential

inferred← citeshttps://doi.org/10.1021/acscatal.8b03470openalex-snapshot

Kinetic Significance of Proton–Electron Transfer during Condensed Phase Reduction of Carbonyls on Transition Metal Clusters

inferred← citeshttps://doi.org/10.1021/acscatal.9b03903openalex-snapshot

Elucidating the Mechanism of Electrochemical N2 Reduction at the Ru(0001) Electrode

inferred← citeshttps://doi.org/10.1021/acsomega.4c11482openalex-snapshot

Oxidation and Chlorination Reaction Characteristics: A Density Functional Theory Perspective toward the Fundamental Understanding of Etching of Ruthenium and Tantalum Surfaces

inferred← citeshttps://doi.org/10.1021/acsomega.6c00009openalex-snapshot

H 2 O-Dissociative Adsorption on Mg(0001) Surface─Corrosion Process under Atmospheric Conditions

inferred← citeshttps://doi.org/10.1021/am5026566openalex-snapshot

Engineering Preferential Adsorption of Single-Walled Carbon Nanotubes on Functionalized ST-cut Surfaces of Quartz

inferred← citeshttps://doi.org/10.1021/cr040376lopenalex-snapshot

Molecular Structure of Water at Interfaces: Wetting at the Nanometer Scale

inferred← citeshttps://doi.org/10.1021/cr050173copenalex-snapshot

Solvated Electrons on Metal Oxide Surfaces

inferred← citeshttps://doi.org/10.1021/cr300230qopenalex-snapshot

Titanium Dioxide (Anatase and Rutile): Surface Chemistry, Liquid–Solid Interface Chemistry, and Scientific Synthesis of Supported Catalysts

inferred← citeshttps://doi.org/10.1021/cr4002269openalex-snapshot

Conversion of Biomass into Chemicals over Metal Catalysts

inferred← citeshttps://doi.org/10.1021/cr9001808openalex-snapshot

Reactivity Theory of Transition-Metal Surfaces: A Brønsted−Evans−Polanyi Linear Activation Energy−Free-Energy Analysis

inferred← citeshttps://doi.org/10.1021/cs3003337openalex-snapshot

Trends in Selective Hydrogen Peroxide Production on Transition Metal Surfaces from First Principles

inferred← citeshttps://doi.org/10.1021/ct200326uopenalex-snapshot

Proton Wires via One-Dimensional Water Chains Adsorbed on Metallic Steps

inferred← citeshttps://doi.org/10.1021/ja073727xopenalex-snapshot

Autocatalytic Water Dissociation on Cu(110) at Near Ambient Conditions

inferred← citeshttps://doi.org/10.1021/ja3003809openalex-snapshot

Water Splits Epitaxial Graphene and Intercalates

inferred← citeshttps://doi.org/10.1021/ja907468mopenalex-snapshot

Metal- and Hydrogen-Bonding Competition during Water Adsorption on Pd(111) and Ru(0001)

inferred← citeshttps://doi.org/10.1021/jp044379dopenalex-snapshot

Water Adsorption on Rh(111) at 20 K: From Monomer to Bulk Amorphous Ice

inferred← citeshttps://doi.org/10.1021/jp049392copenalex-snapshot

The Interaction of Water with the Pt(533) Surface

inferred← citeshttps://doi.org/10.1021/jp052167qopenalex-snapshot

Initial Growth of the Water Layer on (1 × 1)-Oxygen-Covered Ru(0001) in Comparison with that on Bare Ru(0001)

inferred← citeshttps://doi.org/10.1021/jp053557fopenalex-snapshot

Density Functional Theory Study of Water Activation and CO a ds + OH a ds Reaction on Pure Platinum and Bimetallic Platinum/Ruthenium Nanoclusters

inferred← citeshttps://doi.org/10.1021/jp065328eopenalex-snapshot

Multilayer Growth and Wetting of Ru(0001)

inferred← citeshttps://doi.org/10.1021/jp0731654openalex-snapshot

Hydroxyl-Induced Wetting of Metals by Water at Near-Ambient Conditions

inferred← citeshttps://doi.org/10.1021/jp101855vopenalex-snapshot

Cooperativity in Surface Bonding and Hydrogen Bonding of Water and Hydroxyl at Metal Surfaces

inferred← citeshttps://doi.org/10.1021/jp105180dopenalex-snapshot

Behaviors of Monomer H2O on the Cu(111) Surface under Surface Charges

inferred← citeshttps://doi.org/10.1021/jp1113416openalex-snapshot

Wetting of Intact and Partially Dissociated Water Layer on Ru(0001): a Density Functional Study

inferred← citeshttps://doi.org/10.1021/jp200478ropenalex-snapshot

Water Adsorption and Dissociation on Cu Nanoparticles

inferred← citeshttps://doi.org/10.1021/jp206093eopenalex-snapshot

First-Principles Study of Water Dissociation on PdZn near Surface Alloys

inferred← citeshttps://doi.org/10.1021/jp207768eopenalex-snapshot

Reactivity Descriptors for Borohydride Interaction with Metal Surfaces

inferred← citeshttps://doi.org/10.1021/jp2105677openalex-snapshot

Quantum Modeling of Water and Oxygen Adsorption on Beryllium Surface

inferred← citeshttps://doi.org/10.1021/jp210802qopenalex-snapshot

Simulating Linear Sweep Voltammetry from First-Principles: Application to Electrochemical Oxidation of Water on Pt(111) and Pt3Ni(111)

inferred← citeshttps://doi.org/10.1021/jp3017002openalex-snapshot

Water Dissociation on Bimetallic Surfaces: General Trends

inferred← citeshttps://doi.org/10.1021/jp310234hopenalex-snapshot

The Chemistry of Water on α-Alumina: Kinetics and Nuclear Quantum Effects from First Principles

inferred← citeshttps://doi.org/10.1021/jp512328hopenalex-snapshot

Free Energy Assessment of Water Structures and Their Dissociation on Ru(0001)

inferred← citeshttps://doi.org/10.1021/jp711588vopenalex-snapshot

Synergetic Effects of the Cu/Pt{110} Surface Alloy: Enhanced Reactivity of Water and Carbon Monoxide

inferred← citeshttps://doi.org/10.1021/jp801598sopenalex-snapshot

Long-Range Proton Transport for the Water Reaction on Si(001): Study of Hydrogen-Bonded Systems with a Model Liquid−solid Interface

inferred← citeshttps://doi.org/10.1021/jp8026622openalex-snapshot

Adsorption of Water on O(2 × 2)/Ru(0001): Thermal Stability and Inhibition of Dissociation

inferred← citeshttps://doi.org/10.1021/jp806366jopenalex-snapshot

Preadsorbed Water-Promoted Mechanism of the Water−Gas Shift Reaction

inferred← citeshttps://doi.org/10.1021/jp809595yopenalex-snapshot

Bonding Nature of Monomeric H2O on Pd: Orbital Cooperation and Competition

inferred← citeshttps://doi.org/10.1021/jp902139mopenalex-snapshot

Kinetic Rates and Linear Free Energy Relationships for Water Dissociation on Transition and Noble Metal Dimers

inferred← citeshttps://doi.org/10.1021/jp907424wopenalex-snapshot

A Stable Pure Hydroxyl Layer on Pt{110}-(1×2)

inferred← citeshttps://doi.org/10.1021/jz402646copenalex-snapshot

Solvent-Induced Proton Hopping at a Water–Oxide Interface

inferred← citeshttps://doi.org/10.1021/la101599vopenalex-snapshot

The CO Formation Reaction Pathway in Steam Methane Reforming by Rhodium

inferred← citeshttps://doi.org/10.1021/nn504824zopenalex-snapshot

Adsorption of Water Dimer on Platinum(111): Identification of the −OH···Pt Hydrogen Bond

inferred← citeshttps://doi.org/10.1038/ncomms14169openalex-snapshot

Edge reactivity and water-assisted dissociation on cobalt oxide nanoislands

inferred← citeshttps://doi.org/10.1038/nmat1940openalex-snapshot

Ice nanoclusters at hydrophobic metal surfaces

inferred← citeshttps://doi.org/10.1038/s41467-024-50724-zopenalex-snapshot

A solution for 4-propylguaiacol hydrodeoxygenation without ring saturation

inferred← citeshttps://doi.org/10.1039/b616689jopenalex-snapshot

Simulating ice nucleation, one molecule at a time, with the ‘DFT microscope’

inferred← citeshttps://doi.org/10.1039/b709853gopenalex-snapshot

Explosive evolution of hydrogen abstraction of water on oxidized Ag(110) surfaces studied by scanning tunnelling microscopy

inferred← citeshttps://doi.org/10.1039/b719149aopenalex-snapshot

In-silico investigations in heterogeneous catalysis—combustion and synthesis of small alkanes

inferred← citeshttps://doi.org/10.1039/b806516kopenalex-snapshot

Water growth on metals and oxides: binding, dissociation and role of hydroxyl groups

inferred← citeshttps://doi.org/10.1039/b807809bopenalex-snapshot

Order and disorder in the wetting layer on Ru(0001)

inferred← citeshttps://doi.org/10.1039/b808235aopenalex-snapshot

Chemical composition and reactivity of water on hexagonal Pt-group metal surfaces

inferred← citeshttps://doi.org/10.1039/c1cp20846bopenalex-snapshot

Trends in water monomer adsorption and dissociation on flat insulating surfaces

inferred← citeshttps://doi.org/10.1039/c1sc00355kopenalex-snapshot

Water-hydroxyl phases on an open metal surface: breaking the ice rules

inferred← citeshttps://doi.org/10.1039/c2cp42091kopenalex-snapshot

Density functional study of water-gas shift reaction on M3O3x/Cu(111)

inferred← citeshttps://doi.org/10.1039/c3cp53644kopenalex-snapshot

Water adsorption and dissociation on Ni surface: Effects of steps, dopants, coverage and self-aggregation

inferred← citeshttps://doi.org/10.1039/c3cp53801jopenalex-snapshot

Insight into the general rule for the activation of the X–H bonds (X = C, N, O, S) induced by chemisorbed oxygen atoms

inferred← citeshttps://doi.org/10.1039/c4cy00483copenalex-snapshot

Quantum chemistry of the Fischer–Tropsch reaction catalysed by a stepped ruthenium surface

inferred← citeshttps://doi.org/10.1039/c6cp07369gopenalex-snapshot

Coexistence of ice clusters and liquid-like water clusters on the Ru(0001) surface

inferred← citeshttps://doi.org/10.1039/c6cp07516aopenalex-snapshot

Water aggregation and dissociation on the ZnO(1010) surface

inferred← citeshttps://doi.org/10.1039/c6cy02104bopenalex-snapshot

Kinetics study of the Ru/C-catalysed hydrogenolysis of polyols – insight into the interactions with the metal surface

inferred← citeshttps://doi.org/10.1039/c6nr00486eopenalex-snapshot

Relative edge energy in the stability of transition metal nanoclusters of different motifs

inferred← citeshttps://doi.org/10.1039/c7gc00422bopenalex-snapshot

Is water a suitable solvent for the catalytic amination of alcohols?

inferred← citeshttps://doi.org/10.1039/c7nr05494gopenalex-snapshot

Nano- and micromotors for cleaning polluted waters: focused review on pollutant removal mechanisms

inferred← citeshttps://doi.org/10.1039/c8cp07806hopenalex-snapshot

DFT study of furfural conversion on a Re/Pt bimetallic surface: synergetic effect on the promotion of hydrodeoxygenation

inferred← citeshttps://doi.org/10.1039/d0ee01754jopenalex-snapshot

Interfacial water shuffling the intermediates of hydrogen oxidation and evolution reactions in aqueous media

inferred← citeshttps://doi.org/10.1039/d2gc00216gopenalex-snapshot

Chemical recycling of polyhydroxybutyrate and polylactic acid over supported Ru catalysts

inferred← citeshttps://doi.org/10.1039/d2gc02299kopenalex-snapshot

Green chemical pathway of plasma synthesis of ammonia from nitrogen and water: a comparative kinetic study with a N 2 /H 2 system

inferred← citeshttps://doi.org/10.1039/d6cp00539jopenalex-snapshot

Theoretical design of diatomic catalysts for selective hydrodeoxygenation of furfural to 2-methylfuran

inferred← citeshttps://doi.org/10.1063/1.1633752openalex-snapshot

Adsorption, desorption, and clustering of H2O on Pt(111)

inferred← citeshttps://doi.org/10.1063/1.1712971openalex-snapshot

Thickness-dependent ordering of water layers at the NaCl(100) surface

inferred← citeshttps://doi.org/10.1063/1.1854132openalex-snapshot

A molecular dynamics simulation of the adsorption of water molecules surrounding an Au nanoparticle

inferred← citeshttps://doi.org/10.1063/1.1878652openalex-snapshot

Reactions and clustering of water with silica surface

inferred← citeshttps://doi.org/10.1063/1.1944728openalex-snapshot

A reflection absorption infrared spectroscopy and density-functional theory investigation of methanol dehydrogenation on Rh(111)∕V alloy surfaces

inferred← citeshttps://doi.org/10.1063/1.1996572openalex-snapshot

The structure of the mixed OH+H2O overlayer on Pt{111}

inferred← citeshttps://doi.org/10.1063/1.2060691openalex-snapshot

The structure and crystallization of thin water films on Pt(111)

inferred← citeshttps://doi.org/10.1063/1.2746240openalex-snapshot

Electronically induced modification of thin layers on surfaces

inferred← citeshttps://doi.org/10.1063/1.2751154openalex-snapshot

Influence of aggregation, defects, and contaminant oxygen on water dissociation at Cu(110) surface: A theoretical study

inferred← citeshttps://doi.org/10.1063/1.2770726openalex-snapshot

Deposition and crystallization studies of thin amorphous solid water films on Ru(0001) and on CO-precovered Ru(0001)

inferred← citeshttps://doi.org/10.1063/1.2804871openalex-snapshot

Water wettability of close-packed metal surfaces

inferred← citeshttps://doi.org/10.1063/1.2894301openalex-snapshot

Adsorption dynamics of water on Pt{110}−(1×2)

inferred← citeshttps://doi.org/10.1063/1.2988903openalex-snapshot

The structure of mixed H2O–OH monolayer films on Ru(0001)

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