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Dual-channel electron modulation in edge-confined Fe@MoS2 single-atom catalysts: σ(dz2-p)/π(dxz/dyz-p) synergy for low-barrier phenol direct deoxygenation

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

inferredcites →https://doi.org/10.1002/anie.201803272openalex-snapshot
Maximizing the Number of Interfacial Sites in Single‐Atom Catalysts for the Highly Selective, Solvent‐Free Oxidation of Primary Alcohols
inferredcites →https://doi.org/10.1002/cctc.201700047openalex-snapshot
Hydrodeoxygenation of Phenol over Zirconia‐Supported Catalysts: The Effect of Metal Type on Reaction Mechanism and Catalyst Deactivation
inferredcites →https://doi.org/10.1002/cctc.202100325openalex-snapshot
Edge‐Confined Pt1/MoS2 Single‐Atom Catalyst Promoting the Selective Activation of Carbon‐Oxygen Bond
inferredcites →https://doi.org/10.1006/jcat.1999.2698openalex-snapshot
Ab Initio Study of the H2–H2S/MoS2 Gas–Solid Interface: The Nature of the Catalytically Active Sites
inferredcites →https://doi.org/10.1007/s10562-016-1815-5openalex-snapshot
The Effect of Metal Type on Hydrodeoxygenation of Phenol Over Silica Supported Catalysts
inferredcites →https://doi.org/10.1016/0927-0256(96)00008-0openalex-snapshot
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
inferredcites →https://doi.org/10.1016/j.apcata.2005.05.045openalex-snapshot
Chemoselective hydrogenation of carbonyl compounds over heterogeneous catalysts
inferredcites →https://doi.org/10.1016/j.commatsci.2005.04.010openalex-snapshot
A fast and robust algorithm for Bader decomposition of charge density
inferredcites →https://doi.org/10.1016/j.jcat.2003.09.015openalex-snapshot
Atomic-scale insight into structure and morphology changes of MoS2 nanoclusters in hydrotreating catalysts
inferredcites →https://doi.org/10.1016/j.jechem.2022.11.056openalex-snapshot
Rational design of MoS2-based catalysts toward lignin hydrodeoxygenation: Interplay of structure, catalysis, and stability
inferredcites →https://doi.org/10.1016/j.jechem.2022.12.020openalex-snapshot
Cooperative catalysis of Co single atoms and nanoparticles enables selective CAr−OCH3 cleavage for sustainable production of lignin-based cyclohexanols
inferredcites →https://doi.org/10.1021/acs.chemrev.6b00457openalex-snapshot
Catalytic Transformation of Lignocellulose into Chemicals and Fuel Products in Ionic Liquids
inferredcites →https://doi.org/10.1021/acs.jpcc.1c02358openalex-snapshot
Computational Insights into the Hydrodeoxygenation of Phenolic Compounds over Pt–Fe Catalysts
inferredcites →https://doi.org/10.1021/acscatal.0c00239openalex-snapshot
Atomically Dispersed Co Catalyst for Efficient Hydrodeoxygenation of Lignin-Derived Species and Hydrogenation of Nitroaromatics
inferredcites →https://doi.org/10.1021/acscatal.1c03669openalex-snapshot
Creating Edge Sites within the Basal Plane of a MoS 2 Catalyst for Substantially Enhanced Hydrodeoxygenation Activity
inferredcites →https://doi.org/10.1021/acssuschemeng.2c04266openalex-snapshot
Toward Value-Added Arenes from Lignin-Derived Phenolic Compounds via Catalytic Hydrodeoxygenation
inferredcites →https://doi.org/10.1021/jacs.9b06628openalex-snapshot
Pocketlike Active Site of Rh 1 /MoS 2 Single-Atom Catalyst for Selective Crotonaldehyde Hydrogenation
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.2740openalex-snapshot
MoS2 monolayer catalyst doped with isolated Co atoms for the hydrodeoxygenation reaction
inferredcites →https://doi.org/10.1039/c4cy00859fopenalex-snapshot
Hydrodeoxygenation of dibenzofuran over SiO 2 , Al 2 O 3 /SiO 2 and ZrO 2 /SiO 2 supported Pt catalysts
inferredcites →https://doi.org/10.1039/c6gc01971dopenalex-snapshot
Hydrothermally stable Ru/HZSM-5-catalyzed selective hydrogenolysis of lignin-derived substituted phenols to bio-arenes in water
inferredcites →https://doi.org/10.1039/c9cy01082copenalex-snapshot
Hydrodeoxygenation of phenol over Ni-based bimetallic single-atom surface alloys: mechanism, kinetics and descriptor
inferredcites →https://doi.org/10.1039/c9gc02762aopenalex-snapshot
Recent advances in the selective catalytic hydrodeoxygenation of lignin-derived oxygenates to arenes
inferredcites →https://doi.org/10.1039/d0cy01361gopenalex-snapshot
Unravelling the role of oxophilic metal in promoting the deoxygenation of catechol on Ni-based alloy catalysts
inferredcites →https://doi.org/10.1039/d0sc00983kopenalex-snapshot
Surface engineering of earth-abundant Fe catalysts for selective hydrodeoxygenation of phenolics in liquid phase
inferredcites →https://doi.org/10.1063/1.472933openalex-snapshot
Rationale for mixing exact exchange with density functional approximations
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
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
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