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The barrier free splitting of O-H bond in H2O and CH3OH due to the synergetic effects of single atom (Cu1/Fe1) coordination change and ZnO(1 1 0) surface oxygen activation

https://doi.org/10.1016/j.apsusc.2021.151750
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What this work says

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

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Towards Oil Independence Through Renewable Methanol Chemistry
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Quantification of Zinc Atoms in a Surface Alloy on Copper in an Industrial‐Type Methanol Synthesis Catalyst
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Formation of a ZnO Overlayer in Industrial Cu/ZnO/Al2O3 Catalysts Induced by Strong Metal–Support Interactions
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Strong Metal–Support Interactions between Copper and Iron Oxide during the High‐Temperature Water‐Gas Shift Reaction
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Supported Intermetallic PdZn Nanoparticles as Bifunctional Catalysts for the Direct Synthesis of Dimethyl Ether from CO‐Rich Synthesis Gas
inferredcites →https://doi.org/10.1002/cctc.201500123openalex-snapshot
The Mechanism of CO and CO2 Hydrogenation to Methanol over Cu‐Based Catalysts
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The role of ZnO in Cu/ZnO methanol synthesis catalysts
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Dramatic catalytic activation of kinetically inert disilane hydrolysis in metallic iron particulate via barrierless chemical dissociation: First-principles study
inferredcites →https://doi.org/10.1016/j.cattod.2008.08.022openalex-snapshot
Water-gas shift activity of Cu surfaces and Cu nanoparticles supported on metal oxides
inferredcites →https://doi.org/10.1016/j.jcat.2008.11.028openalex-snapshot
Transient behavior of Cu/ZnO-based methanol synthesis catalysts
inferredcites →https://doi.org/10.1016/j.jcat.2017.07.024openalex-snapshot
Atomically dispersed Pt on specific TiO2 facets for photocatalytic H2 evolution
inferredcites →https://doi.org/10.1016/j.jcat.2017.12.020openalex-snapshot
Fe-doped NiO mesoporous nanosheets array for highly efficient overall water splitting
inferredcites →https://doi.org/10.1016/j.susc.2015.03.023openalex-snapshot
A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals
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Model studies of methanol synthesis on copper catalysts
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SBH10: A Benchmark Database of Barrier Heights on Transition Metal Surfaces
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What Is the Best Size of Subnanometer Copper Clusters for CO2 Conversion to Methanol at Cu/TiO2 Interfaces? A Density Functional Theory Study
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Promoting Strong Metal Support Interaction: Doping ZnO for Enhanced Activity of Cu/ZnO:M (M = Al, Ga, Mg) Catalysts
inferredcites →https://doi.org/10.1021/cs400664zopenalex-snapshot
Theoretical Analysis of Transition-Metal Catalysts for Formic Acid Decomposition
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Well-Defined Iron Catalysts for the Acceptorless Reversible Dehydrogenation-Hydrogenation of Alcohols and Ketones
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Water-Soluble Fe(II)–H 2 O Complex with a Weak O–H Bond Transfers a Hydrogen Atom via an Observable Monomeric Fe(III)–OH
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Carbon Dioxide Conversion to Methanol over Size-Selected Cu 4 Clusters at Low Pressures
inferredcites →https://doi.org/10.1021/jacs.6b12147openalex-snapshot
O–H Activation by an Unexpected Ferryl Intermediate during Catalysis by 2-Hydroxyethylphosphonate Dioxygenase
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Fast Hydrogen Atom Abstraction by a Hydroxo Iron(III) Porphyrazine
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Mechanisms for Hydrogen-Atom Abstraction by Mononuclear Copper(III) Cores: Hydrogen-Atom Transfer or Concerted Proton-Coupled Electron Transfer?
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Cooperativity in Surface Bonding and Hydrogen Bonding of Water and Hydroxyl at Metal Surfaces
inferredcites →https://doi.org/10.1023/a:1023588322846openalex-snapshot
On the Issue of the Active Site and the Role of ZnO in Cu/ZnO Methanol Synthesis Catalysts
inferredcites →https://doi.org/10.1038/nchem.1095openalex-snapshot
Single-atom catalysis of CO oxidation using Pt1/FeOx
inferredcites →https://doi.org/10.1038/nchem.162openalex-snapshot
A diiron(iv) complex that cleaves strong C–H and O–H bonds
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Enantioselective iron-catalysed O–H bond insertions
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Anchoring zero valence single atoms of nickel and iron on graphdiyne for hydrogen evolution
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An atomic-scale view of single-site Pt catalysis for low-temperature CO oxidation
inferredcites →https://doi.org/10.1038/s41929-018-0063-zopenalex-snapshot
RETRACTED ARTICLE: A universal principle for a rational design of single-atom electrocatalysts
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Engineering the electronic structure of single atom Ru sites via compressive strain boosts acidic water oxidation electrocatalysis
inferredcites →https://doi.org/10.1039/b515487aopenalex-snapshot
The influence of strongly reducing conditions on strong metal–support interactions in Cu/ZnO catalysts used for methanol synthesis
inferredcites →https://doi.org/10.1039/c4cc08658aopenalex-snapshot
On the role of the surface oxygen species during A–H (A = C, N, O) bond activation: a density functional theory study
inferredcites →https://doi.org/10.1039/df9572400133openalex-snapshot
Ion-solvent interaction. Structural aspects of ion-solvent interaction in aqueous solutions: a suggested picture of water structure
inferredcites →https://doi.org/10.1103/physrevb.13.5188openalex-snapshot
Special points for Brillouin-zone integrations
inferredcites →https://doi.org/10.1103/physrevb.54.11169openalex-snapshot
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation
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Band alignment of semiconductors from density-functional theory and many-body perturbation theory
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Atomically Resolved Chemical Reactivity of Small Fe Clusters
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Atom-Resolved Imaging of Dynamic Shape Changes in Supported Copper Nanocrystals
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inferredcites →https://doi.org/10.1126/science.aal3573openalex-snapshot
Active sites for CO 2 hydrogenation to methanol on Cu/ZnO catalysts

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Modulation the Reaction Paths Of O-Removal by Electronic Effects for Fe5c2(100) Surfaces
inferred← citeshttps://doi.org/10.1016/j.apsusc.2023.158088openalex-snapshot
Modulation the reaction paths of oxygen removal by electronic effects for Fe5C2(100) surfaces
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BN-bicyclohexyl material for enhanced reversible dehydrogenation reaction for hydrogen storage: Density functional theory approach
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Size effects and reaction pathways in low-loading palladium-carbon (Pd/C) catalysts for rosin disproportionation
inferred← citeshttps://doi.org/10.1016/j.ica.2023.121517openalex-snapshot
Single-atom photocatalysts for various applications in energy conversion and environmental remediation: A review
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Utilizing the coordination effect of the mild hydration method to promote the complexation of artificial fulvic acid with iron to alleviate the yellowing of peanut leaves
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Energetic and Kinetic Competition on the Stability of Pd13 Clusters: Ab Initio Molecular Dynamics Simulations
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