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Origin of the Increase of Activity and Selectivity of Nickel Doped by Au, Ag, and Cu for Acetylene Hydrogenation

https://doi.org/10.1021/cs2006789

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What this work says

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Effect of IB-metal on Ni/SiO2 catalyst for selective hydrogenation of acetylene

inferred← citeshttps://doi.org/10.1021/acs.accounts.2c00058openalex-snapshot

Achieving Theory–Experiment Parity for Activity and Selectivity in Heterogeneous Catalysis Using Microkinetic Modeling

inferred← citeshttps://doi.org/10.1021/acs.analchem.8b00894openalex-snapshot

Trimetallic Hybrid Nanoflower-Decorated MoS 2 Nanosheet Sensor for Direct in Situ Monitoring of H 2 O 2 Secreted from Live Cancer Cells

inferred← citeshttps://doi.org/10.1021/acs.energyfuels.3c01891openalex-snapshot

Robust NixSn/ZSM-12 Catalysts with Zeolite as the Support and Sn as the Promoter for Acetylene Semi-hydrogenation

inferred← citeshttps://doi.org/10.1021/acs.iecr.2c01477openalex-snapshot

Effective Inhibition of Ethane Generation on Fe5C2 Nanoparticles Doped with ppm Level of Pd for Selective Hydrogenation of Acetylene

inferred← citeshttps://doi.org/10.1021/acs.inorgchem.4c04254openalex-snapshot

Investigation of Sn Promoter on Ni/CeO 2 Catalysts for Enhanced Acetylene Semihydrogenation to Ethylene

inferred← citeshttps://doi.org/10.1021/acs.jpca.6b01037openalex-snapshot

π Activation of Alkynes in Homogeneous and Heterogeneous Gold Catalysis

inferred← citeshttps://doi.org/10.1021/acs.jpcc.0c03975openalex-snapshot

First-Principles-Based Microkinetic Simulations of CO2 Hydrogenation to Methanol over Intermetallic GaPd2: Method Development to Include Complex Interactions between Surface Adsorbates

inferred← citeshttps://doi.org/10.1021/acs.jpcc.0c10463openalex-snapshot

Gas-Phase Catalytic Hydrogenation/Isomerization in the Transformation of 3-Butyn-2-ol over Pd-Ni/Al2O3

inferred← citeshttps://doi.org/10.1021/acs.jpcc.1c03157openalex-snapshot

C2H2 Selective Hydrogenation to C2H4: Engineering the Surface Structure of Pd-Based Alloy Catalysts to Adjust the Catalytic Performance

inferred← citeshttps://doi.org/10.1021/acs.jpcc.1c04763openalex-snapshot

Syngas Conversion on the Different Cu Surfaces: The Relationship of the Coordination Number of Cu Active Sites with the Activity and Selectivity of Key Intermediate CHx Production

inferred← citeshttps://doi.org/10.1021/acs.jpcc.5c02690openalex-snapshot

Acetylene Semihydrogenation over the Flexible Heptazine-Based g-C3N4 Monolayer with Embedded Single Atoms (SA = Cu, Ag, Au, Ni, Pd, Pt)

inferred← citeshttps://doi.org/10.1021/acs.jpcc.6b03747openalex-snapshot

Tailoring Surface Adsorption and Reactivity of Fullerene-Based Compounds: A Theoretical Probe into C2–Gas–Fullerene Surface Interactions

inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b08125openalex-snapshot

Insight into the Effects of Cu Component and the Promoter on the Selectivity and Activity for Efficient Removal of Acetylene from Ethylene on Cu-Based Catalyst

inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b11394openalex-snapshot

Coverage Effect on the Activity of the Acetylene Semihydrogenation over Pd–Sn Catalysts: A Density Functional Theory Study

inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b01980openalex-snapshot

Identification of the Active and Selective Sites over a Single Pt Atom-Alloyed Cu Catalyst for the Hydrogenation of 1,3-Butadiene: A Combined DFT and Microkinetic Modeling Study

inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b06782openalex-snapshot

First-Principles Determination of CO Adsorption and Desorption on Pt(111) in the Free Energy Landscape

inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b06880openalex-snapshot

Prevalence of trans-Alkenes in Hydrogenation Processes on Metal Surfaces: A Density Functional Theory Study

inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b12460openalex-snapshot

Essential Role of Water in the Autocatalysis Behavior of Methanol Synthesis from CO2 Hydrogenation on Cu: A Combined DFT and Microkinetic Modeling Study

inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b01757openalex-snapshot

C2H2 Selective Hydrogenation over the M@Pd and M@Cu (M = Au, Ag, Cu, and Pd) Core–Shell Nanocluster Catalysts: The Effects of Composition and Nanocluster Size on Catalytic Activity and Selectivity

inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b01847openalex-snapshot

Role of Surface Species Interactions in Identifying the Reaction Mechanism of Methanol Synthesis from CO2Hydrogenation over Intermetallic PdIn(310) Steps

inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b02029openalex-snapshot

Heterogeneous Single-Cluster Catalysts for Selective Semihydrogenation of Acetylene with Graphdiyne-Supported Triatomic Clusters

inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b08755openalex-snapshot

Propagating DFT Uncertainty to Mechanism Determination, Degree of Rate Control, and Coverage Analysis: The Kinetics of Dry Reforming of Methane

inferred← citeshttps://doi.org/10.1021/acsami.2c02317openalex-snapshot

Machine-Learning-Assisted Catalytic Performance Predictions of Single-Atom Alloys for Acetylene Semihydrogenation

inferred← citeshttps://doi.org/10.1021/acsami.2c08539openalex-snapshot

Cu Catalysts Doped with a Heteroatom into the Subsurface: Unraveling the Role of Subsurface Chemistry in Tuning the Catalytic Performance of C2H2 Selective Hydrogenation

inferred← citeshttps://doi.org/10.1021/acsanm.9b00384openalex-snapshot

Silica-Encapsulated Gold Nanoclusters for Efficient Acetylene Hydrogenation to Ethylene

inferred← citeshttps://doi.org/10.1021/acscatal.0c00190openalex-snapshot

Selective Hydrogenation of Acetylene on Ptn/TiO2(n= 1, 2, 4, 8) Surfaces: Structure Sensitivity Analysis

inferred← citeshttps://doi.org/10.1021/acscatal.0c03897openalex-snapshot

Adsorbate-Induced Structural Evolution of Pd Catalyst for Selective Hydrogenation of Acetylene

inferred← citeshttps://doi.org/10.1021/acscatal.0c04065openalex-snapshot

ACS Catalysis Highlights Its Most Cited Papers from Around the Globe: United Kingdom

inferred← citeshttps://doi.org/10.1021/acscatal.0c05345openalex-snapshot

Quantitative Studies of the Key Aspects in Selective Acetylene Hydrogenation on Pd(111) by Microkinetic Modeling with Coverage Effects and Molecular Dynamics

inferred← citeshttps://doi.org/10.1021/acscatal.1c04758openalex-snapshot

Highly Selective and Stable Isolated Non-Noble Metal Atom Catalysts for Selective Hydrogenation of Acetylene

inferred← citeshttps://doi.org/10.1021/acscatal.5b00627openalex-snapshot

In Situ Spectroscopic Characterization of Ni1–xZnx/ZnO Catalysts and Their Selectivity for Acetylene Semihydrogenation in Excess Ethylene

inferred← citeshttps://doi.org/10.1021/acscatal.5b01429openalex-snapshot

Metal Phosphides Derived from Hydrotalcite Precursors toward the Selective Hydrogenation of Phenylacetylene

inferred← citeshttps://doi.org/10.1021/acscatal.7b01910openalex-snapshot

Significance of Surface Formate Coverage on the Reaction Kinetics of Methanol Synthesis from CO2 Hydrogenation over Cu

inferred← citeshttps://doi.org/10.1021/acscatal.8b00042openalex-snapshot

Constructing Bridges between Computational Tools in Heterogeneous and Homogeneous Catalysis

inferred← citeshttps://doi.org/10.1021/acscatal.9b02761openalex-snapshot

Apparent Activation Energies in Complex Reaction Mechanisms: A Simple Relationship via Degrees of Rate Control

inferred← citeshttps://doi.org/10.1021/acscatal.9b05402openalex-snapshot

Supported Ni–Au Colloid Precursors for Active, Selective, and Stable Alkyne Partial Hydrogenation Catalysts

inferred← citeshttps://doi.org/10.1021/acsnanoscienceau.6c00134openalex-snapshot

Interstitial Nonmetal Doping of Palladium-Based Catalysts for Alkyne Semihydrogenation

inferred← citeshttps://doi.org/10.1021/am405167hopenalex-snapshot

A Novel Approach for the in Situ Synthesis of Pt–Pd Nanoalloys Supported on Fe3O4@C Core–Shell Nanoparticles with Enhanced Catalytic Activity for Reduction Reactions

inferred← citeshttps://doi.org/10.1021/cs400727fopenalex-snapshot

Understanding the Optimal Adsorption Energies for Catalyst Screening in Heterogeneous Catalysis

inferred← citeshttps://doi.org/10.1021/ja408314kopenalex-snapshot

Evidence To Challenge the Universality of the Horiuti–Polanyi Mechanism for Hydrogenation in Heterogeneous Catalysis: Origin and Trend of the Preference of a Non-Horiuti–Polanyi Mechanism

inferred← citeshttps://doi.org/10.1021/jacs.7b01471openalex-snapshot

Isolated Single-Atom Pd Sites in Intermetallic Nanostructures: High Catalytic Selectivity for Semihydrogenation of Alkynes

inferred← citeshttps://doi.org/10.1021/jacs.9b10507openalex-snapshot

Synthesis, Characterization, and Electrochemical Applications of Chiral Imprinted Mesoporous Ni Surfaces

inferred← citeshttps://doi.org/10.1021/jacsau.1c00452openalex-snapshot

Discovery of a New Solvent Co-Catalyzed Mechanism in Heterogeneous Catalysis: A First-Principles Study with Molecular Dynamics on Acetaldehyde Hydrogenation on Birnessite

inferred← citeshttps://doi.org/10.1021/jp408807copenalex-snapshot

Mechanistic Study of 1,3-Butadiene Formation in Acetylene Hydrogenation over the Pd-Based Catalysts Using Density Functional Calculations

inferred← citeshttps://doi.org/10.1021/jp410478copenalex-snapshot

Molecular-Level Understanding of CeO2 as a Catalyst for Partial Alkyne Hydrogenation

inferred← citeshttps://doi.org/10.1021/jp412255aopenalex-snapshot

Selective Hydrogenation of Acetylene over Pd–Boron Catalysts: A Density Functional Theory Study

inferred← citeshttps://doi.org/10.1021/jp508644vopenalex-snapshot

Mechanism of 2-Ethylhexenal Hydrogenation on Pd(111): A Density Functional Study

inferred← citeshttps://doi.org/10.1021/jp512989qopenalex-snapshot

Selective Catalytic Activation of Acetylene by a Neutral Gold Cluster of Experimentally Known Gas-Phase Geometry

inferred← citeshttps://doi.org/10.1038/s41467-018-05052-4openalex-snapshot

Selective ensembles in supported palladium sulfide nanoparticles for alkyne semi-hydrogenation

inferred← citeshttps://doi.org/10.1038/s41467-018-08136-3openalex-snapshot

Non defect-stabilized thermally stable single-atom catalyst

inferred← citeshttps://doi.org/10.1038/s42004-021-00612-0openalex-snapshot

Intermetallic PdZn nanoparticles catalyze the continuous-flow hydrogenation of alkynols to cis-enols

inferred← citeshttps://doi.org/10.1039/c4cp00737aopenalex-snapshot

Significance of β-dehydrogenation in ethanol electro-oxidation on platinum doped with Ru, Rh, Pd, Os and Ir

inferred← citeshttps://doi.org/10.1039/c4cp01818dopenalex-snapshot

A DFT + U study of acetylene selective hydrogenation over anatase supported Pd a Ag b (a + b = 4) cluster

inferred← citeshttps://doi.org/10.1039/c4ra05463fopenalex-snapshot

Neutral Au n (n = 3–10) clusters catalyze acetylene hydrochlorination: a density functional theory study

inferred← citeshttps://doi.org/10.1039/c5ra23507copenalex-snapshot

Selective hydrogenation of acetylene over TiO 2 -supported PdAg cluster: carbon species effect

inferred← citeshttps://doi.org/10.1039/c6cp01714bopenalex-snapshot

A systematic investigation of acetylene activation and hydracyanation of the activated acetylene on Au n (n = 3–10) clusters via density functional theory

inferred← citeshttps://doi.org/10.1039/c6cp02735kopenalex-snapshot

Theoretical insights into the promotion effect of subsurface boron for the selective hydrogenation of CO to methanol over Pd catalysts

inferred← citeshttps://doi.org/10.1039/c6cy02587kopenalex-snapshot

Selective hydrogenation of acetylene over Cu(211), Ag(211) and Au(211): Horiuti–Polanyi mechanism vs. non-Horiuti–Polanyi mechanism

inferred← citeshttps://doi.org/10.1039/c6ra23014hopenalex-snapshot

Controlling the selectivity of catalytic oxidation of styrene over nanocluster catalysts

inferred← citeshttps://doi.org/10.1039/c7cp02152fopenalex-snapshot

Surface restructuring of Cu-based single-atom alloy catalysts under reaction conditions: the essential role of adsorbates

inferred← citeshttps://doi.org/10.1039/c7dt04726fopenalex-snapshot

The reaction mechanism and selectivity of acetylene hydrogenation over Ni–Ga intermetallic compound catalysts: a density functional theory study

inferred← citeshttps://doi.org/10.1039/c8cp06032kopenalex-snapshot

Theoretical study on the reaction mechanism and selectivity of acetylene semi-hydrogenation on Ni–Sn intermetallic catalysts

inferred← citeshttps://doi.org/10.1039/c8cp07427eopenalex-snapshot

Modeling the effect of surface CO coverage on the electrocatalytic reduction of CO 2 to CO on Pd surfaces

inferred← citeshttps://doi.org/10.1039/c8cy00462eopenalex-snapshot

Supported gold–nickel nano-alloy as a highly efficient catalyst in levulinic acid hydrogenation with formic acid as an internal hydrogen source

inferred← citeshttps://doi.org/10.1039/c8sc03178aopenalex-snapshot

Topological self-template directed synthesis of multi-shelled intermetallic Ni 3 Ga hollow microspheres for the selective hydrogenation of alkyne

inferred← citeshttps://doi.org/10.1039/c9cp04885eopenalex-snapshot

Fast prediction of oxygen reduction reaction activity on carbon nanotubes with a localized geometric descriptor

inferred← citeshttps://doi.org/10.1039/c9cy01242gopenalex-snapshot

Intermetallic PdIn catalyst for CO 2 hydrogenation to methanol: mechanistic studies with a combined DFT and microkinetic modeling method

inferred← citeshttps://doi.org/10.1039/c9fd00122kopenalex-snapshot

Addressing the uncertainty of DFT-determined hydrogenation mechanisms over coinage metal surfaces

inferred← citeshttps://doi.org/10.1039/c9gc01119fopenalex-snapshot

The selective hydrogenation of furfural over intermetallic compounds with outstanding catalytic performance

inferred← citeshttps://doi.org/10.1039/d0cp01042aopenalex-snapshot

Computational insights into the strain effect on the electrocatalytic reduction of CO 2 to CO on Pd surfaces

inferred← citeshttps://doi.org/10.1039/d0cy00602eopenalex-snapshot

Origin of CO 2 as the main carbon source in syngas-to-methanol process over Cu: theoretical evidence from a combined DFT and microkinetic modeling study

inferred← citeshttps://doi.org/10.1039/d0nj03632copenalex-snapshot

Preparation of MCM-41 supported nickel NPs for the high-efficiency semi-hydrogenation of acetylene

inferred← citeshttps://doi.org/10.1039/d0nj04401fopenalex-snapshot

Selective hydrogenation of acetylene on the PdLa@N-doped biochar catalyst surface: the evolution of active sites, catalytic performance, and mechanism

inferred← citeshttps://doi.org/10.1039/d1cc00923kopenalex-snapshot

Atomically dispersed Pd–Ru dual sites in an amorphous matrix towards efficient phenylacetylene semi-hydrogenation

inferred← citeshttps://doi.org/10.1039/d1cp03599aopenalex-snapshot

Effect of point defects on acetylene hydrogenation reaction over Ni(111) surface: a density functional theory study

inferred← citeshttps://doi.org/10.1039/d4cs01237bopenalex-snapshot

Recent advances in thermocatalytic acetylene selective hydrogenation

inferred← citeshttps://doi.org/10.1039/d4cy00617hopenalex-snapshot

Comprehensive understanding of ethylene epoxidation on copper catalysts: a microkinetic study with coverage effects

inferred← citeshttps://doi.org/10.1039/d4cy00774copenalex-snapshot

Synergism between B–N atomic pair for promoting the catalytic cracking of 1,2-dichloroethane

inferred← citeshttps://doi.org/10.1039/d4cy01464bopenalex-snapshot

Unraveling the synergistic mechanism of multimetals in Ni 3 Cu–Sn catalysts for selective hydrogenation of phenylacetylene

inferred← citeshttps://doi.org/10.1039/d4dt00644eopenalex-snapshot

M–Ge–Si thermolytic molecular precursors and models for germanium-doped transition metal sites on silica

inferred← citeshttps://doi.org/10.1039/d4ta02342kopenalex-snapshot

Regulation of a Ni 3 Sn 2 intermetallic catalyst using highly dispersed Pd species to boost propyne semi-hydrogenation

inferred← citeshttps://doi.org/10.1063/1.5142748openalex-snapshot

Selective acetylene hydrogenation over single metal atoms supported on Fe3O4(001): A first-principle study

inferred← citeshttps://doi.org/10.1063/5.0100170openalex-snapshot

Theoretical understanding on all-solid frustrated Lewis pair sites of C2N anchored by single metal atom

inferred← citeshttps://doi.org/10.1073/pnas.2010413117openalex-snapshot

Facilitating hydrogen atom migration via a dense phase on palladium islands to a surrounding silver surface

inferred← citeshttps://doi.org/10.1080/08927022.2019.1572892openalex-snapshot

Structural and electronic properties of chemically modified fullerenes

inferred← citeshttps://doi.org/10.1098/rsos.171598openalex-snapshot

BNPd single-atom catalysts for selective hydrogenation of acetylene to ethylene: a density functional theory study

inferred← citeshttps://doi.org/10.1134/s0022476617080194openalex-snapshot

Reaction mechanism of the preferential oxidation of the CO reaction in an H2 stream over Cu–Ni bimetallic catalysts: A computational study

inferred← citeshttps://doi.org/10.1134/s096554412209006openalex-snapshot

Dehydrogenation of Light Alkanes (A Review)

inferred← citeshttps://doi.org/10.1360/n032014-00184openalex-snapshot

A review of selective hydrogenation catalysts on active center and performance

inferred← citeshttps://doi.org/10.3389/fchem.2020.581512openalex-snapshot

Supported Pt Nanoparticles on Mesoporous Titania for Selective Hydrogenation of Phenylacetylene

inferred← citeshttps://doi.org/10.3390/catal12091072openalex-snapshot

Semi-Hydrogenation of Acetylene to Ethylene Catalyzed by Bimetallic CuNi/ZSM-12 Catalysts

inferred← citeshttps://doi.org/10.3390/catal14050315openalex-snapshot

Au Nanoparticles Supported on Hydrotalcite-Based MMgAlOx (M=Cu, Ni, and Co) Composite: Influence of Dopants on the Catalytic Activity for Semi-Hydrogenation of C2H2

inferred← citeshttps://doi.org/10.3390/nano10030509openalex-snapshot

Pure Acetylene Semihydrogenation over Ni–Cu Bimetallic Catalysts: Effect of the Cu/Ni Ratio on Catalytic Performance

inferred← citeshttps://doi.org/10.70675/598e6341z6002z4252zaea6z8fe3d3755a02openalex-snapshot

Electrochemical processes as a pre-treatment step before biological treatment : Application to the removal of organo-halogenated compounds

inferred← citeshttps://doi.org/10.70675/7d4f3ed0z9f52z4a1dz929cz801b5463f0bdopenalex-snapshot

Design of Porous Materials for Electrochemical Applications

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