相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Combined experimental and theoretical study of acetylene semi-hydrogenation over Pd/Al2O3
Liliana P. L. Goncalves et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2020)
Synergistic Computational-Experimental Discovery of Highly Selective PtCu Nanocluster Catalysts for Acetylene Semihydrogenation
Olumide Bolarinwa Ayodele et al.
ACS CATALYSIS (2020)
Selective Hydrogenation of Acetylene on Ptn/TiO2 (n=1, 2, 4, 8) Surfaces: Structure Sensitivity Analysis
Hong-Yan Ma et al.
ACS CATALYSIS (2020)
Probe into the effects of surface composition and ensemble effect of active sites on the catalytic performance of C2H2 semi-hydrogenation over the Pd-Ag bimetallic catalysts
Ying Wang et al.
CHEMICAL ENGINEERING SCIENCE (2020)
Atom-Pair Catalysts Supported by N-Doped Graphene for the Nitrogen Reduction Reaction: d-Band Center-Based Descriptor
Ting Deng et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)
Non-Metal Single-Phosphorus-Atom Catalysis of Hydrogen Evolution
Weiwei Fu et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)
Unravelling origins of Pd ensembles' activity in CO oxidation via state-to-state microkinetic analysis
Jiaqiang Yang et al.
JOURNAL OF CATALYSIS (2019)
Ensemble Effect in Bimetallic Electrocatalysts for CO2 Reduction
Yuxuan Wang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
Enhanced Electrocatalytic Performance through Body Enrichment of Co-Based Bimetallic Nanoparticles In Situ Embedded Porous N-Doped Carbon Spheres
NQianqian Song et al.
SMALL (2019)
Competition of C-C bond formation and C-H bond formation For acetylene hydrogenation on transition metals: A density functional theory study
Zhi-Jian Zhao et al.
AICHE JOURNAL (2019)
Core-Shell Engineering of Pd-Ag Bimetallic Catalysts for Efficient Hydrogen Production from Formic Acid Decomposition
Bu-Seo Choi et al.
ACS CATALYSIS (2019)
Cost-Effective Palladium-Doped Cu Bimetallic Materials to Tune Selectivity and Activity by using Doped Atom Ensembles as Active Sites for Efficient Removal of Acetylene from Ethylene
Riguang Zhang et al.
CHEMCATCHEM (2018)
Ethylene versus ethane: A DFT-based selectivity descriptor for efficient catalyst screening
Lang Xu et al.
JOURNAL OF CATALYSIS (2018)
A DFT Study on the Catalytic CO Oxidative Coupling to Dimethyl Oxalate on Al-Doped Core-Shell Pd Clusters
Xue Feng et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2018)
Coverage Effect on the Activity of the Acetylene Semihydrogenation over Pd-Sn Catalysts: A Density Functional Theory Study
Jiubing Zhao et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2018)
Cost-effective promoter-doped Cu-based bimetallic catalysts for the selective hydrogenation of C2H2 to C2H4: the effect of the promoter on selectivity and activity
Riguang Zhang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2018)
The DFT Study of Single-Atom Pd-1/g-C3N4 Catalyst for Selective Acetylene Hydrogenation Reaction
Yu Zhao et al.
CATALYSIS LETTERS (2018)
Effect of the d-Band Center on the Oxygen Reduction Reaction Activity of Electrochemically Dealloyed Ordered Intermetallic Platinum-Lead (PtPb) Nanoparticles Supported on TiO2-Deposited Cup-Stacked Carbon Nanotubes
Fuma Ando et al.
ACS APPLIED NANO MATERIALS (2018)
Predicting Selectivity for Ethane Dehydrogenation and Coke Formation Pathways over Model Pt-M Surface Alloys with ab Initio and Scaling Methods
Alec Hook et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
Role of Heteronuclear Interactions in Selective H2 Formation from HCOOH Decomposition on Bimetallic Pd/M (M = Late Transition FCC Metal) Catalysts
Jinwon Cho et al.
ACS CATALYSIS (2017)
Selective hydrogenation of acetylene over Cu(211), Ag(211) and Au(211): Horiuti-Polanyi mechanism vs. non-Horiuti-Polanyi mechanism
Bo Yang et al.
CATALYSIS SCIENCE & TECHNOLOGY (2017)
A DFT study and micro-kinetic analysis of acetylene selective hydrogenation on Pd-doped Cu(111) surfaces
Ling-Ling Ma et al.
APPLIED SURFACE SCIENCE (2017)
Theoretical study of Sn adsorbed on the Au(111) surface
Lorena A. Meier et al.
COMPUTATIONAL MATERIALS SCIENCE (2017)
DFT study of selective hydrogenation of acetylene to ethylene on Pd doping Ag nanoclusters
D. Liu
APPLIED SURFACE SCIENCE (2016)
Composition of the Green Oil in Hydrogenation of Acetylene over a Commercial Pd-Ag/Al2O3 Catalyst
Jian Zhang et al.
CHEMICAL ENGINEERING & TECHNOLOGY (2016)
Palladium sulphide - A highly selective catalyst for the gas phase hydrogenation of alkynes to alkenes
Alan J. McCue et al.
JOURNAL OF CATALYSIS (2016)
Insights into the Effect of Pt Atomic Ensemble on HCOOH Oxidation over Pt-Decorated Au Bimetallic Catalyst To Maximize Pt Utilization
Tian Duan et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
Understanding the enhanced catalytic activity of Cu1@Pd3(111) in formic acid dissociation, a theoretical perspective
Feng He et al.
JOURNAL OF POWER SOURCES (2016)
Activation of Cu(111) surface by decomposition into nanoclusters driven by CO adsorption
Baran Eren et al.
SCIENCE (2016)
Importance of surface carbide formation on the activity and selectivity of Pd surfaces in the selective hydrogenation of acetylene
Bo Yang et al.
SURFACE SCIENCE (2016)
Experimental and computational studies of formic acid dehydrogenation over PdAu: influence of ensemble and ligand effects on catalysis
Jin Hee Lee et al.
JOURNAL OF MATERIALS CHEMISTRY A (2016)
The influence of alumina phases on the performance of the Pd-Ag/Al2O3 catalyst in tail-end selective hydrogenation of acetylene
Samane Komeili et al.
APPLIED CATALYSIS A-GENERAL (2015)
Ag Alloyed Pd Single-Atom Catalysts for Efficient Selective Hydrogenation of Acetylene to Ethylene in Excess Ethylene
Guang Xian Pei et al.
ACS CATALYSIS (2015)
Selective hydrogenation of acetylene in excess ethylene using Ag- and Au-Pd/SiO2 bimetallic catalysts prepared by electroless deposition
Yunya Zhang et al.
APPLIED CATALYSIS A-GENERAL (2014)
Selective semi-hydrogenation of acetylene: Atomistic scenario for reactions on the polar threefold surfaces of GaPd
M. Krajci et al.
JOURNAL OF CATALYSIS (2014)
Cu/Al2O3 catalysts modified with Pd for selective acetylene hydrogenation
Alan J. McCue et al.
JOURNAL OF CATALYSIS (2014)
Selective Hydrogenation of Acetylene over Pd-Boron Catalysts: A Density Functional Theory Study
Bo Yang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2014)
Controllable Modification of the Electronic Structure of Carbon-Supported Core-Shell Cu@Pd Catalysts for Formic Acid Oxidation
Mingjun Ren et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2014)
A DFT plus U study of acetylene selective hydrogenation over anatase supported PdaAgb (a plus b=4) cluster
Ling-Dong Meng et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Understanding the Optimal Adsorption Energies for Catalyst Screening in Heterogeneous Catalysis
Bo Yang et al.
ACS CATALYSIS (2014)
Study on carbon deposition associated with catalytic CH4 reforming by using density functional theory
Hongyan Liu et al.
FUEL (2013)
Influence of surface structures, subsurface carbon and hydrogen, and surface alloying on the activity and selectivity of acetylene hydrogenation on Pd surfaces: A density functional theory study
Bo Yang et al.
JOURNAL OF CATALYSIS (2013)
Atomic ensemble effects on formic acid oxidation on PdAu electrode studied by first-principles calculations
D. W. Yuan et al.
JOURNAL OF POWER SOURCES (2013)
Order-Induced Selectivity Increase of Cu60Pd40 in the Semi-Hydrogenation of Acetylene
Matthias Friedrich et al.
MATERIALS (2013)
New insights into enhanced electrocatalytic performance of carbon supported Pd-Cu catalyst for formic acid oxidation
Liang Lu et al.
ELECTROCHIMICA ACTA (2012)
A DFT plus U study of acetylene selective hydrogenation on oxygen defective anatase (101) and rutile (110) TiO2 supported Pd4 cluster
Jie Yang et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Origin of the Increase of Activity and Selectivity of Nickel Doped by Au, Ag, and Cu for Acetylene Hydrogenation
Bo Yang et al.
ACS CATALYSIS (2012)
Theory of the Kinetics of Chemical Potentials in Heterogeneous Catalysis
Jun Cheng et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
Performance of Pd-Ag/Al2O3 catalysts prepared by the selective deposition of Ag onto Pd in acetylene hydrogenation
Ji Hoon Lee et al.
CATALYSIS COMMUNICATIONS (2011)
An understanding of chemoselective hydrogenation on crotonaldehyde over Pt(111) in the free energy landscape: The microkinetics study based on first-principles calculations
Xiao-Ming Cao et al.
CATALYSIS TODAY (2011)
Hydrogen production from formic acid decomposition at room temperature using a Ag-Pd core-shell nanocatalyst
Karaked Tedsree et al.
NATURE NANOTECHNOLOGY (2011)
Chemoselective Catalytic Hydrogenation of Acrolein on Ag(111): Effect of Molecular Orientation on Reaction Selectivity
Katrin Brandt et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Preparation of Pdshell-Aucore/SiO2 catalyst and catalytic activity for acetylene hydrogenation
A. Sarkany et al.
APPLIED CATALYSIS A-GENERAL (2008)
Palladium-gallium intermetallic compounds for the selective hydrogenation of acetylene -: Part II:: Surface characterization and catalytic performance
Juergen Osswald et al.
JOURNAL OF CATALYSIS (2008)
Bronsted-Evans-Polanyi relation of multistep reactions and volcano curve in heterogeneous catalysis
Jun Cheng et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2008)
Structure and structural evolution of Agn (n=3-22) clusters using a genetic algorithm and density functional theory method
Dongxu Tian et al.
SOLID STATE COMMUNICATIONS (2007)
On the sequential hydrogen dissociative chemisorption on small platinum clusters: A density functional theory study
Chenggang Zhou et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2007)
Formation of C4 species in the deactivation of a Pd/SiO2 catalyst during the selective hydrogenation of acetylene
In Young Ahn et al.
CATALYSIS TODAY (2007)
Selective hydrogenation of acetylene in the presence of ethylene on zeolite-supported bimetallic catalysts
Wei Huang et al.
JOURNAL OF CATALYSIS (2007)
Acetylene and ethylene hydrogenation on alumina supported Pd-Ag model catalysts
NA Khan et al.
CATALYSIS LETTERS (2006)
Characterisations of Pd-Ag/Al2O3 catalysts for selective acetylene hydrogenation:: effect of pretreatment with NO and N2O
B Ngamsom et al.
CATALYSIS COMMUNICATIONS (2004)
A generalized synchronous transit method for transition state location
N Govind et al.
COMPUTATIONAL MATERIALS SCIENCE (2003)
Selective hydrogenation of acetylene through a short contact time reactor
MJ Vincent et al.
AICHE JOURNAL (2002)
Hydrogenation of acetylene over low loaded Pd and Pd-Au/SiO2 catalysts
A Sárkány et al.
APPLIED CATALYSIS A-GENERAL (2002)
From molecules to solids with the DMol3 approach
B Delley
JOURNAL OF CHEMICAL PHYSICS (2000)
分享论文
