Investigating the Reactivity of Single Atom Alloys Using Density Functional Theory

Selective Hydrogenation of Acetylene to Ethylene in the Presence of a Carbonaceous Surface Layer on a Pd/Cu(111) Single-Atom Alloy

(2017) Christopher M. Kruppe et al.   ACS Catalysis

Performance of Cu-Alloyed Pd Single-Atom Catalyst for Semihydrogenation of Acetylene under Simulated Front-End Conditions

(2017) Guang Xian Pei et al.   ACS Catalysis

Controlling Hydrogen Activation, Spillover, and Desorption with Pd–Au Single-Atom Alloys

(2016) Felicia R. Lucci et al.   Journal of Physical Chemistry Letters

Selective Formic Acid Dehydrogenation on Pt-Cu Single-Atom Alloys

(2016) Matthew D. Marcinkowski et al.   ACS Catalysis

H2 Activation and Spillover on Catalytically Relevant Pt–Cu Single Atom Alloys

(2015) Felicia R. Lucci et al.   Journal of Physical Chemistry C

Single-Atom Alloy Pd–Ag Catalyst for Selective Hydrogenation of Acrolein

(2015) Payoli Aich et al.   Journal of Physical Chemistry C

Introducing structural sensitivity into adsorption–energy scaling relations by means of coordination numbers

(2015) Federico Calle-Vallejo et al.   Nature Chemistry

Selective hydrogenation of 1,3-butadiene on platinum–copper alloys at the single-atom limit

(2015) Felicia R. Lucci et al.   Nature Communications

Stable Au catalysts for selective hydrogenation of acetylene in ethylene

(2014) Xiaoliang Yan et al.   APPLIED CATALYSIS A-GENERAL

Atomic Scale Surface Structure of Pt/Cu(111) Surface Alloys

(2014) Felicia R. Lucci et al.   Journal of Physical Chemistry C

High-performance Ag–Co alloy catalysts for electrochemical oxygen reduction

(2014) Adam Holewinski et al.   Nature Chemistry

The concept, reality and utility of single-site heterogeneous catalysts (SSHCs)

(2014) John Meurig Thomas   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Single atom alloy surface analogs in Pd0.18Cu15 nanoparticles for selective hydrogenation reactions

(2013) Matthew B. Boucher et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Active Sites of Pd-Doped Flat and Stepped Cu(111) Surfaces for H2 Dissociation in Heterogeneous Catalytic Hydrogenation

(2013) Qiang Fu et al.   ACS Catalysis

Universal Brønsted-Evans-Polanyi Relations for C–C, C–O, C–N, N–O, N–N, and O–O Dissociation Reactions

(2010) Shengguang Wang et al.   CATALYSIS LETTERS

Gold, still a surprising catalyst: Selective hydrogenation of acetylene to ethylene over Au nanoparticles

(2010) Andreea C. Gluhoi et al.   CATALYSIS TODAY

Communications: Exceptions to the d-band model of chemisorption on metal surfaces: The dominant role of repulsion between adsorbate states and metal d-states

(2010) Hongliang Xin et al.   JOURNAL OF CHEMICAL PHYSICS

Step decoration of chiral metal surfaces

(2009) Jeong Woo Han et al.   JOURNAL OF CHEMICAL PHYSICS

Density Functional Theory Comparison of Water Dissociation Steps on Cu, Au, Ni, Pd, and Pt

(2009) Abhijit A. Phatak et al.   Journal of Physical Chemistry C

Alloys of platinum and early transition metals as oxygen reduction electrocatalysts

(2009) J. Greeley et al.   Nature Chemistry

Hydrogen Dissociation and Spillover on Individual Isolated Palladium Atoms

(2009) Heather L. Tierney et al.   PHYSICAL REVIEW LETTERS

Scaling Relationships for Adsorption Energies on Transition Metal Oxide, Sulfide, and Nitride Surfaces

(2008) Eva M. Fernández et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Formation of polymer-grade ethylene by selective hydrogenation of acetylene over Au/CeO2 catalyst

(2008) Y AZIZI et al.   JOURNAL OF CATALYSIS

Thermodynamics and kinetics of oxygen-induced segregation of 3d metals in Pt–3d–Pt(111) and Pt–3d–Pt(100) bimetallic structures

(2008) Carl A. Menning et al.   JOURNAL OF CHEMICAL PHYSICS

Mechanism of the Water Gas Shift Reaction on Pt:  First Principles, Experiments, and Microkinetic Modeling

(2008) Lars C. Grabow et al.   Journal of Physical Chemistry C

Alloy surface segregation in reactive environments: First-principles atomistic thermodynamics study ofAg3Pd(111)in oxygen atmospheres

(2008) John R. Kitchin et al.   PHYSICAL REVIEW B

Identification of Non-Precious Metal Alloy Catalysts for Selective Hydrogenation of Acetylene

(2008) F. Studt et al.   SCIENCE

Density functional theory study of NO on the Rh(100) surface

(2008) C. Popa et al.   SURFACE SCIENCE

Surface segregation energies in low-index open surfaces of bimetallic transition metal alloys

(2008) Anand Udaykumar Nilekar et al.   SURFACE SCIENCE