Resistance to sulfur poisoning of Ni-based alloy with coinage (IB) metals
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December 2015 |
Generalized Gradient Approximation Made Simple
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October 1996 |
Thermal desorption of gases
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July 1962 |
CO induced surface segregation as a means of improving surface composition and enhancing performance of CuPd bimetallic catalysts
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September 2015 |
Projector augmented-wave method
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December 1994 |
Tackling CO Poisoning with Single-Atom Alloy Catalysts
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May 2016 |
A graph-theoretical kinetic Monte Carlo framework for on-lattice chemical kinetics
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June 2011 |
Extraction of kinetic parameters in temperature programmed desorption: A comparison of methods
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December 1987 |
Preparation, Structure, and Surface Chemistry of Ni–Au Single Atom Alloys
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June 2016 |
The carbon-tolerance mechanism of Ni-based alloy with coinage metals
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November 2013 |
Reaction pathways and poisons—II
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January 1975 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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January 1999 |
Selective hydrogenation of 1,3-butadiene on platinum–copper alloys at the single-atom limit
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October 2015 |
DFT study of the M segregation on MAu alloys (M=Ni, Pd, Pt) in presence of adsorbed oxygen O and O2
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January 2012 |
Parallel kinetic Monte Carlo simulation framework incorporating accurate models of adsorbate lateral interactions
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December 2013 |
Ag Alloyed Pd Single-Atom Catalysts for Efficient Selective Hydrogenation of Acetylene to Ethylene in Excess Ethylene
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May 2015 |
Ab initiomolecular dynamics for liquid metals
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January 1993 |
Water co-catalyzed selective dehydrogenation of methanol to formaldehyde and hydrogen
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August 2016 |
Molecular-Scale Perspective of Water-Catalyzed Methanol Dehydrogenation to Formaldehyde
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June 2013 |
Reactivity of Bimetallic Systems Studied from First Principles
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March 2006 |
The adsorption of Xe and CO on Ag(111)
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March 1976 |
Equilibrium Constants and Rate Constants for Adsorbates: Two-Dimensional (2D) Ideal Gas, 2D Ideal Lattice Gas, and Ideal Hindered Translator Models
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May 2016 |
STM studies of ordered CO islands on Ag(111)
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April 2005 |
Surface segregation and ordering of alloy surfaces in the presence of adsorbates
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November 2005 |
Chemisorbed atomic oxygen inducing Pd segregation in PdAu(111) alloy: Energetic and electronic DFT analysis
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February 2011 |
The adsorption of CO, O2, and H2 on Pt
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December 1977 |
Unraveling the Complexity of Catalytic Reactions via Kinetic Monte Carlo Simulation: Current Status and Frontiers
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November 2012 |
On the CO tolerance of novel colloidal PdAu/carbon electrocatalysts
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March 2001 |
Density functional theory study of CO-induced segregation in gold-based alloys
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August 2014 |
Adsorption of CO on Surfaces of 4d and 5d Elements in Group VIII
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January 2007 |
Isolated Metal Atom Geometries as a Strategy for Selective Heterogeneous Hydrogenations
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March 2012 |
Pd on carbon nanotubes-supported Ag for formate oxidation: The effect of Ag on anti-poisoning performance
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August 2016 |
The oxidation of carbon monoxide on the Au(110) surface
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January 1987 |
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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July 1996 |
Supported Palladium–Gold Alloy Catalysts for Efficient and Selective Hydrosilylation under Mild Conditions with Isolated Single Palladium Atoms in Alloy Nanoparticles as the Main Active Site
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January 2017 |
CO adsorption studies on pure and Ni-covered Cu(111) surfaces
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November 1986 |
First-principles study of Au–Cu alloy surface changes induced by gas adsorption of CO, NO, or O 2
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July 2016 |
Chemisorption of H on Pd(111): An ab initio approach with ultrasoft pseudopotentials
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July 1996 |
First-Principles-Based Kinetic Monte Carlo Simulation of the Structure Sensitivity of the Water–Gas Shift Reaction on Platinum Surfaces
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November 2011 |
Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals
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March 1999 |
Evidence of Pd segregation and stabilization at edges of AuPd nano-clusters in the presence of CO: A combined DFT and DRIFTS study
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December 2013 |
Atomic-Scale Imaging and Electronic Structure Determination of Catalytic Sites on Pd/Cu Near Surface Alloys
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March 2009 |
Atomic Scale Surface Structure of Pt/Cu(111) Surface Alloys
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January 2014 |
Surface segregation energies in transition-metal alloys
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June 1999 |
Controlling a spillover pathway with the molecular cork effect
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April 2013 |
Single atom alloy surface analogs in Pd0.18Cu15 nanoparticles for selective hydrogenation reactions
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January 2013 |
Carbon monoxide poisoning of proton exchange membrane fuel cells
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January 2001 |
Surface segregation in bimetallic Pt3M (M=Fe, Co, Ni) alloys with adsorbed oxygen
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January 2009 |
Surface energies of elemental crystals
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September 2016 |
Dual role of CO in the stability of subnano Pt clusters at the Fe 3 O 4 (001) surface
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July 2016 |
Poisoning of Pt/C catalysts by CO and its consequences over the kinetics of hydrogen chemisorption
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November 2009 |
A review of PEM hydrogen fuel cell contamination: Impacts, mechanisms, and mitigation
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March 2007 |
Significance of single-electron energies for the description of CO on Pt(111)
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August 2003 |
The CO/Pt(111) Puzzle †
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May 2001 |
Controlling Hydrogen Activation, Spillover, and Desorption with Pd–Au Single-Atom Alloys
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January 2016 |
An Atomic-Scale View of Palladium Alloys and their Ability to Dissociate Molecular Hydrogen
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October 2010 |
Dependence of effective desorption kinetic parameters on surface coverage and adsorption temperature: CO on Pd(111)
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June 1989 |
CO adsorption studies on pure and Ni-covered Cu(111) surfaces
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November 1986 |
Carbon monoxide poisoning of proton exchange membrane fuel cells
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July 2002 |
Reducing Dzyaloshinskii-Moriya interaction and field-free spin-orbit torque switching in synthetic antiferromagnets
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May 2021 |
High-resolution X-ray luminescence extension imaging
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February 2021 |
Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect
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February 2020 |
The oxidation of carbon monoxide on the Au(110) surface
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January 1987 |
Reactivity of Bimetallic Systems Studied from First Principles
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August 2006 |
A facile route to monodisperse MPd (M = Co or Cu) alloy nanoparticles and their catalysis for electrooxidation of formic acid
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January 2014 |
Surface restructuring of Cu-based single-atom alloy catalysts under reaction conditions: the essential role of adsorbates
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January 2017 |
Hydrogen Dissociation and Spillover on Individual Isolated Palladium Atoms
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journal
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December 2009 |
Theoretical analysis of doped graphene as cathode catalyst in Li-O2 and Na-O2 batteries -- the impact of the computational scheme
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preprint
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January 2020 |