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。Directing reaction pathways via in situ control of active site geometries in PdAu single-atom alloy catalysts
Mengyao Ouyang et al.
NATURE COMMUNICATIONS (2021)
Global Activity Search Uncovers Reaction Induced Concomitant Catalyst Restructuring for Alkane Dissociation on Model Pt Catalysts
Geng Sun et al.
ACS CATALYSIS (2021)
Bayesian force fields from active learning for simulation of inter-dimensional transformation of stanene
Yu Xie et al.
NPJ COMPUTATIONAL MATERIALS (2021)
Entropic Control of HD Exchange Rates over Dilute Pd-in-Au Alloy Nanoparticle Catalysts
Jessi E. S. van der Hoeven et al.
ACS CATALYSIS (2021)
Achieving High Selectivity for Alkyne Hydrogenation at High Conversions with Compositionally Optimized PdAu Nanoparticle Catalysts in Raspberry Colloid-Templated SiO2
Mathilde Luneau et al.
ACS CATALYSIS (2020)
Reagent-Triggered Isomerization of Fluxional Cluster Catalyst via Dynamic Coupling
Han Guo et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)
Structural Rearrangements of Subnanometer Cu Oxide Clusters Govern Catalytic Oxidation
Geng Sun et al.
ACS CATALYSIS (2020)
Mechanism of the Accelerated Water Formation Reaction under Interfacial Confinement
Mengen Wang et al.
ACS CATALYSIS (2020)
On-the-fly active learning of interpretable Bayesian force fields for atomistic rare events
Jonathan Vandermause et al.
NPJ COMPUTATIONAL MATERIALS (2020)
Guidelines to Achieving High Selectivity for the Hydrogenation of alpha,beta-Unsaturated Aldehydes with Bimetallic and Dilute Alloy Catalysts: A Review
Mathilde Luneau et al.
CHEMICAL REVIEWS (2020)
Evolution of Metastable Structures at Bimetallic Surfaces from Microscopy and Machine-Learning Molecular Dynamics
Jin Soo Lim et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)
Enhancing catalytic performance of dilute metal alloy nanomaterials
Mathilde Luneau et al.
COMMUNICATIONS CHEMISTRY (2020)
Dehydrogenation mechanisms of methyl-cyclohexane on γ-Al2O3 supported Pt13: Impact of cluster ductility
Wei Zhao et al.
JOURNAL OF CATALYSIS (2019)
Low-Coordinated Pd Catalysts Supported on Zn1Zr1Ox Composite Oxides for Selective Methanol Steam Reforming
Chongyang Wang et al.
APPLIED CATALYSIS A-GENERAL (2019)
Diffusion mechanisms of metal atoms in Pd-Au bimetallic catalyst under CO atmosphere based on ab initio molecular dynamics
Yongpeng Yang et al.
APPLIED SURFACE SCIENCE (2019)
Dilute Pd/Au Alloy Nanoparticles Embedded in Colloid-Templated Porous SiO2 : Stable Au-Based Oxidation Catalysts
Mathilde Luneau et al.
CHEMISTRY OF MATERIALS (2019)
Automated Detection and Characterization of Surface Restructuring Events in Bimetallic Catalysts
Jin Soo Lim et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2019)
Integrated Catalysis-Surface Science-Theory Approach to Understand Selectivity in the Hydrogenation of 1-Hexyne to 1-Hexene on PdAu Single-Atom Alloy Catalysts
Jilei Liu et al.
ACS CATALYSIS (2019)
Surface Composition Evolution of Bimetallic Alloys under Reaction Conditions
Jun Meng et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2019)
Pd Segregation on the Surface of Bimetallic PdAu Nanoparticles Induced by Low Coverage of Adsorbed CO
Mikhail Mamatkulov et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2019)
Automatic Prediction of Surface Phase Diagrams Using Ab lnitio Grand Canonical Monte Carlo
Robert B. Wexler et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2019)
Dynamics of Surface Alloys: Rearrangement of Pd/Ag(111) Induced by CO and O2
Matthijs A. van Spronsen et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2019)
Acetylene Adsorption on Pd-Ag Alloys: Evidence for Limited Island Formation and Strong Reverse Segregation from Monte Carlo Simulations
Emanuele Vignola et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2018)
Carbon Monoxide Poisoning Resistance and Structural Stability of Single Atom Alloys
Matthew T. Darby et al.
TOPICS IN CATALYSIS (2018)
Structural Rearrangement of Au-Pd Nanoparticles under Reaction Conditions: An ab Initio Molecular Dynamics Study
Cong-Qiao Xu et al.
ACS NANO (2017)
Catalyst design for enhanced sustainability through fundamental surface chemistry
Michelle L. Personick et al.
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES (2016)
Kinetic Monte Carlo simulation of surface segregation in Pd-Cu alloys
Feng Cheng et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2015)
CO Adsorption-Driven Surface Segregation of Pd on Au/Pd Bimetallic Surfaces: Role of Defects and Effect on CO Oxidation
Hyun You Kim et al.
ACS CATALYSIS (2013)
Action of bimetallic nanocatalysts under reaction conditions and during catalysis: evolution of chemistry from high vacuum conditions to reaction conditions
Franklin (Feng) Tao et al.
CHEMICAL SOCIETY REVIEWS (2012)
Bimetallic Catalysis using Transition and Group 11 Metals: An Emerging Tool for C?C Coupling and Other Reactions
Monica H. Perez-Temprano et al.
CHEMISTRY-A EUROPEAN JOURNAL (2012)
On the promoting effect of Au on CO oxidation kinetics of Au-Pt bimetallic nanoparticles supported on SiO2: An electronic effect?
Rachel P. Doherty et al.
JOURNAL OF CATALYSIS (2012)
Nucleation, Growth, and Adsorbate-Induced Changes in Composition for Co-Au Bimetallic Clusters on TiO2
Randima P. Galhenage et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
Role of Small Pd Ensembles in Boosting CO Oxidation in AuPd Alloys
Hyung Chul Ham et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2012)
Alloys in catalysis: phase separation and surface segregation phenomena in response to the reactive environment
Spiros Zafeiratos et al.
CATALYSIS SCIENCE & TECHNOLOGY (2012)
An Atomic-Scale View of Palladium Alloys and their Ability to Dissociate Molecular Hydrogen
Ashleigh E. Baber et al.
CHEMCATCHEM (2011)
A generalized-gradient approximation exchange hole model for dispersion coefficients
Stephan N. Steinmann et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Comprehensive Bench marking of a Density-Dependent Dispersion Correction
Stephan N. Steinmann et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
CO-Induced Diffusion of Ni Atoms to the Surface of Ni-Au Clusters on TiO2(110)
Samuel A. Tenney et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2011)
The interaction of CO with PdAg/Pd(111) surface alloys-A case study of ensemble effects on a bimetallic surface
Yunsheng Ma et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Adsorbate-Induced Changes in the Surface Composition of Bimetallic Clusters: Pt-Au on TiO2(110)
Samuel A. Tenney et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
Temperature and pressure effects in CO titration of ensembles in PdAu(111) alloys using first principles
Monica Garcia-Mota et al.
PHYSICAL REVIEW B (2010)
Adsorption of carbon monoxide Au/Pd(100) alloys in ultrahigh vacuum: Identification of adsorption sites
Zhenjun Li et al.
SURFACE SCIENCE (2010)
Bimetallic Palladium-Gold Nanostructures: Application in Ethanol Oxidation
Faycal Ksar et al.
CHEMISTRY OF MATERIALS (2009)
Carbon-supported PdM (M = Au and Sn) nanocatalysts for the electrooxidation of ethanol in high pH media
Qinggang He et al.
JOURNAL OF POWER SOURCES (2009)
Assessing the performance of recent density functionals for bulk solids
Gabor I. Csonka et al.
PHYSICAL REVIEW B (2009)
Adsorbate-Driven Morphological Changes of a Gold Surface at Low Temperatures
Jan Hrbek et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
A review on reforming bio-ethanol for hydrogen production
Meng Ni et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2007)
Characterization and chemical properties of Pd-Au alloy surfaces
Tao Wei et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2007)
Universal phenomena of CO adsorption on gold surfaces with low-coordinated sites
Wai-Leung Yim et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2007)
Pd(111) versus Pd-Au(111) in carbon monoxide oxidation under elevated pressures
A. Piednoir et al.
CATALYSIS LETTERS (2007)
First-principles extrapolation method for accurate CO adsorption energies on metal surfaces
SE Mason et al.
PHYSICAL REVIEW B (2004)
Adsorption of unsaturated aldehydes on the (111) surface of a Pt-Fe alloy catalyst from first principles
R Hirschl et al.
JOURNAL OF CATALYSIS (2003)
Perspectives on the first principles elucidation and the design of active sites
M Neurock
JOURNAL OF CATALYSIS (2003)
High-pressure studies of CO adsorption on Pd(111) by X-ray photoelectron spectroscopy and sum-frequency generation
VV Kaichev et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2003)
Direct synthesis of hydrogen peroxide from H-2 and O-2 using Pd and Au catalysts
P Landon et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2003)
The CO/Pt(111) puzzle
PJ Feibelman et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2001)
Extensive ab initio study of the C2O2, C2S2, and C2OS systems:: Stabilities and singlet-triplet energy gaps
D Talbi et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2000)