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RESEARCH PAPER · ACS Catalysis · 2022

Heterolytic Dissociation of H 2 in Heterogeneous Catalysis

Divakar Reddy Aireddy, Kunlun Ding

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Heterolytic Dissociation of H 2 in Heterogeneous CatalysisOriginalRecent advances on surface metal hydrides studied by solid-state nuclear magnetic resonance spectroscopy11Synergy of metal nanoparticles and organometallic complex in NAD(P)H regeneration via relay hydrogenation31A Tale of Two Sites: Neighboring Atomically Dispersed Pt Sites Cooperatively Remove Trace H2 in CO‐Rich Stream11Potential of nickel nanoclusters supported on α -Al 2 O 3 (0001) surface for CO 2 capture, energy production, and dry reforming of methane13Enhancing Tungsten Oxide Gasochromism with Noble Metal Nanoparticles: The Importance of the Interface21Manipulating micro-electric field and coordination-saturated site configuration boosted activity and safety of frustrated single−atom Cu/O Lewis pair for acetylene hydrochlorination0The Role of Hydrogen Adsorption Site Diversity in Catalysis on Transition-Metal Phosphide Surfaces62A copper nitride nanocube catalyst for highly efficient hydroboration of alkynes13Recent progress and prospects in active anion-bearing C12A7-mediated chemical reactions7Regulation of frustrated Lewis pairs on CeO 2 facilitates tandem transformation of styrene and CO 218Solar driven CO 2 hydrogenation to HCOOH on (TiO 2 ) n ( n = 1–6) atomic clusters5Understanding the complexity in bridging thermal and electrocatalytic methanation of CO 2105Core–Shell Structured Polyimide@γ-Al2O3 Nanofiber Separators for Lithium-Ion Batteries18Heterolytic dissociation of H2 and bond activation: Spotting new opportunities from a unified view38Potassium as the best alkali metal promoter in boosting the hydrogenation activity of Ru/MgO for aromatic LOHC molecules by facilitated heterolytic H2 adsorption30Preparation, Quantification, and Reaction of Pd Hydrides on Pd/Al2O3 in Liquid Environment26The importance of constructing Triple-functional Sr2P2O7/Ni2P catalysts for smoothing hydrogenation Ring-rearrangement of Biomass-derived Furfural compounds in water49Adsorption and dissociation of H2 molecule over first-row transition metal doped C24 nanocage as remarkable SACs: A comparative study38Adsorption of Molecules on Defective CeO 2 for Advanced Catalysis76Surface Oxygen Vacancy and Hydride Species on Ceria Are Detrimental to Acetylene Semihydrogenation Reaction37Recent advances in thermocatalytic hydrogenation of unsaturated organic compounds with Metal-Organic Frameworks-based materials: Construction strategies and related mechanisms73Robust Ruthenium Phosphide Catalyst for Hydrogenation of Sulfur-Containing Nitroarenes49Metal surfaces catalyse polarization-dependent hydride transfer from H257Construction of electron-deficient zirconium sites for the efficient catalytic transfer hydrogenation of levulinic acid9Controlled electron transfer at the Ni-ZnO interface for ultra-fast and stable hydrogenation of N-propylcarbazole38Enhanced Surface Charge Localization Over Nitrogen-Doped In2O3 for CO2 Hydrogenation to Methanol with Improved Stability84Catalytic semi‐hydrogenation through hydrogen transfer from carbohydrates as a sustainable hydrogen source over bimetallic PdCu Fe3O4 nanoparticles5Manipulating micro-electric field and coordination-saturated site configuration boosted activity and safety of frustrated single-atom Cu/O Lewis pair for acetylene hydrochlorination25Ni Single Atoms Confined in Nitrogen-Doped Carbon Nanotubes for Active and Selective Hydrogenation of CO 2 to CO74Recent advances in catalyst-modified Mg-based hydrogen storage materials189Surface intermediates steer the pathways of CO2 hydrogenation on Pt/γ-Al2O3: Importance of the metal-support interface67Single Cu sites in synergy with Cu2O nanoparticles on rutile TiO2 for selective nitroarene hydrogenation20Empowering extra fuel supply in E. coli by electron bifurcation for robust H2, ATP and succinate production2The ceria – Germania solid oxide hydrogen storage hollow porous nanoparticles5The Adsorption Mechanism of Hydrogen on FeO Crystal Surfaces: A Density Functional Theory Study29Upcycling of polyethylenes by catalysis0Understanding the Facile Heterolytic Dissociation of Hydrogen on Natural Surface Frustrated Lewis Pairs10How Pt Influences H2 Reactions on High Surface-Area Pt/CeO2 Powder Catalyst Surfaces54Enzyme‐Compatible Core‐Shell Nanoreactor for in Situ H 2 ‐Driven NAD(P)H Regeneration22Enzyme‐Compatible Core‐Shell Nanoreactor for in Situ H 2 ‐Driven NAD(P)H Regeneration1Enriching the surface oxygen as efficient anchoring site of highly dispersed Ru for enhanced hydrogenolysis activity5Hydrogenation of different carbon substrates into light hydrocarbons by ball milling41Rational design of catalysts for heterogeneous selective hydrogenation of unsaturated aldehydes/ketones: From nanoparticles to single atoms16Uncertainties in the reactivity of atomically dispersed catalytic metal: Can any single-atom catalyst work like a charm?5Paving the Way for Reductive Amination: Boosting Catalytic Ammonolysis of Schiff Base31Adjustable metal-support interaction and interlayer spacing of Pd/MXenes boosting alkyne semi-hydrogenation via enhanced reaction and diffusion9Iron phosphide nanocrystals as an air-stable heterogeneous catalyst for liquid-phase nitrile hydrogenation37Plasmonic Catalysis on Au–Pd Nanoalloy for Self-Hydrogen Transfer Hydrogenolysis of Lignin β-O-4 Models under Visible Light10Efficient Protosilylation of Unsaturated Compounds with Silylboronates over a Heterogeneous Cu3N Nanocube Catalyst2Heterogeneous Cobalt-Catalyzed H2S-Reagent-Free Dialkylpolysulfane Synthesis from Alkenes, Elemental Sulfur, and Hydrogen3Electronic vs. Geometric effects of Al2O3-supported Ru species on the adsorption of H2 and substrate for aromatic LOHC hydrogenation27Electrocatalytic valorization of lignocellulose-derived aromatics at industrial-scale current densities45Control of strong electronic oxide-support interaction in iron-based redox catalysts for highly efficient chemical looping CO2 conversion28A review of mechanistic insights into CO2 reduction to higher alcohols for rational catalyst design39Air-Stable Ni Catalysts Prepared by Liquid-Phase Reduction Using Hydrosilanes for Reactions with Hydrogen6Thermodynamic and Kinetic Insights into Hydrogen Adsorption and Dissociation on the Ru (0001) Surface under STM and Catalytic Conditions11Engineering the Interface Between Au Nanoparticles and CoO-Ov to Enhance the Catalytic Performance of 5-Hydroxymethylfurfural (HMF) to 2,5-Dimethylfuran (DMF)8The hydrogen activation, migration, and hydrogenation on metal-free TiH2(O)2In situ creation of a catalytic multiphase and multiscale surroundings for remarkable hydrogen storage performance of MgH 230Modulating Electronic Interaction over Zr–ZnO Catalysts to Enhance CO 2 Hydrogenation to Methanol130Atomically dispersed Pt 1 Ir 1 pair for synergetic hydrogenation of levulinic acid to γ-valerolactone1Carbon dioxide and "methanol" economy: advances in the catalytic synthesis of methanol from CO226Electronic Environment Regulation of Nickel Phyllosilicate Catalysts for Co2 Methanation: The Comparison of Srf2 and Sro Modification0Hydrogen spillover drives room temperature sensing on spark plasma sintered BaTiO 3 with Pt electrodes4Hydrogen-mediated acid-base transformation of Ni supported Mo 5 N 6 for hydrogenative rearrangement of furfural derivatives6Selective CO production from CO 2 over a metal catalyst supported on perovskite oxide in the presence of excess hydrogen5Selective hydrogenolysis of the Csp 2 –O bond in the furan ring using hydride–proton pairs derived from hydrogen spillover6Significantly enhanced catalytic performance of Pd nanocatalyst on AlOOH featuring abundant solid surface frustrated Lewis pair for improved hydrogen activation6Simultaneous Metal Utilization Ratio and Electronic Environment Regulation of Nickel Phyllosilicate Catalysts Via the In-Situ Microwave-Assisted Srf2 Doping0The Effect of Carbon-Loaded Rare Earth Oxide Catalysts on the Hydrogen Storage Performance of Mg-La-Ni Alloys0Theoretical insights into the generation and reactivity of hydride on the ZnO(1010) surface13Theoretical Insights into H 2 Activation over Anatase TiO 2 Supported Metal Adatoms34Heterolytic H2 Activation in Heterogeneous Hydrogenation/Hydroprocessing Catalysis17Nickel Carbide Nanoparticle Catalyst for Selective Hydrogenation of Nitriles to Primary Amines19Sustainable Production of Chemicals via Hydrotreating of CO2 and Biomass Derived Molecules Using Heterogeneous Noble Metal Oxide Catalysts22Homolytic H2 dissociation for enhanced hydrogenation catalysis on oxides96Understanding the Synergistic Catalysis in Hydrogenation of Carbonyl Groups on Cu-Based Catalysts87CeO 2 ‐Based Frustrated Lewis Pairs via Defective Engineering: Formation Theory, Site Characterization, and Small Molecule Activation56Recent progress in thermodynamic and kinetics modification of magnesium hydride hydrogen storage materials38Efficient hydrogen splitting via single atom catalysts supported on Zn12O12 nanocage for sustainable clean fuel production18Unraveling the role of basic sites in the hydrogenation of CO2 to formic acid over Ni-based catalysts55Mitigating the Poisoning Effect of Formate during CO 2 Hydrogenation to Methanol over Co-Containing Dual-Atom Oxide Catalysts48Beyond Hydrogen Storage: Metal Hydrides for Catalysis69Layered High‐Entropy Metallic Glasses for Photothermal CO2 Methanation35Strategies to improve hydrogen activation on gold catalysts49Quantifying Effect of Hydrogen and Sulfur in Mitigating Free Fatty Acid Corrosion in Renewable Diesel Applications0Nanoarchitectonics of Non-Noble-Metal-Based Heterogeneous Catalysts for Transfer Hydrogenation Reactions: Detailed Insights on Different Hydrogen Sources106Mg‐MOF‐74 Derived Defective Framework for Hydrogen Storage at Above‐Ambient Temperature Assisted by Pt Catalyst54Highly efficient and reusable nanostructured porous Ni/La2O2CO3 tandem catalyst for hydrogen and methane production from subcritical hydrothermal treatment of nitrocellulose7Ferredoxin reduction by hydrogen with iron functions as an evolutionary precursor of flavin-based electron bifurcation40Approach to Low Contact Resistance Formation on Buried Interface in Oxide Thin-Film Transistors: Utilization of Palladium-Mediated Hydrogen Pathway40Solvent Effects on Heterogeneous Catalysis for the Selective Hydrogenation27Best practices in the characterization of bulk catalyst properties16Coupling Cu+ Species and Zr Single Atoms for Synergetic Catalytic Transfer Hydrodeoxygenation of 5-Hydroxymethylfurfural77Enhanced hydrogen adsorption-desorption reversibility found on NiAl alloy: A first-principles study1Regioselective hydroformylation of propene catalysed by rhodium-zeolite145Highly efficient hydrodesulfurization driven by an in-situ reconstruction of ammonium/amine intercalated MoS2 catalysts11Sophisticated construction of single-atom cobalt catalyst based on microbial hyphae for high-performance hydrogenation7Small Copper Nanoclusters Synthesized through Solid-State Reduction inside a Ring-Shaped Polyoxometalate Nanoreactor43Efficient Descriptor for Designing High-Performance Cu-Based Catalysts for the Hydrogenation of Dimethyl Oxalate to Methyl Glycolate10Co@Pd bimetallic catalysts doped on the CNTs for bidirectional improving hydriding/dehydriding property of Mg/MgH213Identifying the Active Phase on Atomically Dispersed Catalysts for Propane Dehydrogenation: Positively Charged vs Metallic Transition Metals15Tuning the Electronic Structures of Anchor Sites to Achieve Zero‐Valence Single‐Atom Catalysts for Advanced Hydrogenation32Tuning the Electronic Structures of Anchor Sites to Achieve Zero‐Valence Single‐Atom Catalysts for Advanced Hydrogenation7The surface chemistry of the atomic layer deposition of metal thin films7Laser assisted embedding of Pd10Cu bimetals in ZIF-8 enabling highly selective hydrogenation of C = C in π-bond conjugation3Probing Basal and Prismatic Planes of Graphitic Materials for Metal Single Atom and Subnanometer Cluster Stabilization7Enhancing perhydrobenzyltoluene dehydrogenation performance with Co, Mo and Mn metal oxides: A comparative study with Pt/Al2O3 catalyst26Recent progress on bimetallic catalysts for the production of fuels and chemicals from biomass and plastics by hydrodeoxygenation21Neighbouring metal and Lewis acid sites: Synergistic cooperators for the selective hydrogenation of C = O in anthraquinone6Spectroscopic and Theoretical Insights into H2 Activation on Uranium Monoxide: Homolytic H2 Cleavage Mediated by Intermediate OU(η2-H2)1Borrowing Hydrogen Mechanism in Amine Alkylation by Single Atom Nickel Catalysts22Ligand Modification-Induced Electronic Effects and Synergistic Protic Solvent Effects Promote C═O Bond Hydrogenation36Catalytic Application of Atomically Precise Metal Clusters in Selective Hydrogenation Processes41Contrasting Metallic (Rh0) and Carbidic (2D-Mo2C MXene) Surfaces in Olefin Hydrogenation Provides Insights on the Origin of the Pairwise Hydrogen Addition9Functionalized Phosphorus‐Doped Porous Organic Polymers (FPPOPs) ‐Promoted Pd‐Catalyzed Arylation of Hydrosilanes2Nondissociative Activated Dihydrogen Binding on CeO 2 Revealed by High-Pressure Operando Solid-State NMR Spectroscopy25Charge Transfer Drives Hydrogen Adsorption, Spillover, and Hydroxylation at the Pt/γ-Al2O3 Interface18Boosting hydrogenation properties of supported Cu-based catalysts by replacing Cu0 active sites37Heterolytic Hydrogenation and H– Migration-Assisted Hydrodeoxygenation Reaction under Mild Conditions over Pt/TiO2-D60Unraveling Lewis acid-base sites in defected MOFs for catalyzing dicyclopentadiene hydrogenation via a DFT study and descriptor exploration20Effect of iron oxidation state on the catalytic performance of Fe/C in liquid phase flow hydrogenation of 2-butyne-1,4-diol5Low-pressure CO2 hydrogenation coupled with toluene methylation to para-xylene using atomic Pd-doped ZnZrO –HZSM-511N, P Dual-Doped Carbons as Metal-Free Catalysts for Hydrogenation2Design Principles of Catalytic Materials for CO 2 Hydrogenation to Methanol70Ultrafine Pd Nanoparticles Anchored on Spherical Covalent Triazine Frameworks for the Selective Tandem Hydrogenation of Nitrobenzene and Benzaldehyde to Secondary Amines13Molecular hydride carbonyl clusters and nanoclusters8Two Thiophene-Functionalized Co-MOFs as Green Heterogeneous Catalysts for the Biginelli Reaction21Transition Metal Dichalcogenides in Electrocatalytic Water Splitting29Industrial Applications of Solid Base Catalysis5Tuning of the Bimetallic CoNi Electronic Structure for Inducing Catalytic Activity and Selectivity for Styrene Hydrogenation5Effect of carbon-supported rare earth oxide catalysts on the microstructure, hydrogen storage kinetics, and thermodynamics of Mg-La-Ni alloys7Generation of Surface Ga-H Hydride and Reactivity toward CO211Hydrogen dissociation and CO2 activation in cascade CO2 fixation on PdIn/TiO2 catalyst7The relationship between electronic behavior of single atom catalysts and CO2 reduction to oxygenates19Oxygen vacancies-elusive but common catalytic key defects for thermal upgrading of CO2 to CH4, CO and CH3OH35Electrocatalytic performance of transition metal mono-carbides (TM: CrC, FeC, MnC, TiC, VC) decorated on palladium-encapsulated fullerenes (TM-Pd@C60) for hydrogen evolution reaction (HER): A DFT perspective7Regulating the electronic state of MFI zeolite encapsulated Pt nanoparticles to boost the atom efficiency in reductive amination of biomass-derived furfural4The activities of selected metals and supports for CO2 hydrogenation to methanol: A review7Metal-Independent Correlations for Site-Specific Binding Energies of Relevant Catalytic Intermediates7Analogy in the Mechanism of Heterolytic H 2 Dissociation16Mechanistic insight into bifunctional thermocatalytic CO2 hydrogenation by Oxide-Supported Palladium7Highly Efficient Ru-VOx/TiO2 Catalysts for Hydrodeoxygenation of Amides to Amines: The Promotion Effect of Monolayer Dispersed VOx on Rutile TiO24Room temperature aqueous-phase hydrogenation coupling with green hydrogen: Sustainable technologies innovating by efficient Co-CoO x @NC catalyst derived from N-induced interfacial electron rearrangement3Excellent photo-thermal synergistic catalytic performance: Controlled synthesis of Cu-ZnO catalyst featuring Z-scheme heterostructure19Enhanced H2 Sensing Mechanisms of β-Ga2O3: Electrical Sensitivity and Surface Reactivity2Synergy induced by physical mixing m-ZrO2 and α-Ga2O3 for effective conversion of syngas to light olefins14Cooperative activation of H 2 with H 2 O or NH 3 enables efficient furfural upgradation over Ni 2 P/REPO 4 catalysts: a family feature of lanthanide rare-earth phosphates4Deciphering the role of (metal–)support on the reductive amination of levulinates2Dual nitrogen and oxygen vacancy-enhanced plasma catalysis for mild NH 3 synthesis6

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  47. Iron phosphide nanocrystals as an air-stable heterogeneous catalyst for liquid-phase nitrile hydrogenation

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  48. Plasmonic Catalysis on Au–Pd Nanoalloy for Self-Hydrogen Transfer Hydrogenolysis of Lignin β-O-4 Models under Visible Light

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  49. Efficient Protosilylation of Unsaturated Compounds with Silylboronates over a Heterogeneous Cu3N Nanocube Catalyst

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  50. Heterogeneous Cobalt-Catalyzed H2S-Reagent-Free Dialkylpolysulfane Synthesis from Alkenes, Elemental Sulfur, and Hydrogen

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