Benzene adsorption on binary Pt3M alloys and surface alloys: a DFT study

Monte Carlo simulations of the structure of Pt-based bimetallic nanoparticles

(2012) Kayoung Yun et al.   ACTA MATERIALIA

Review of Pt-Based Bimetallic Catalysis: From Model Surfaces to Supported Catalysts

(2012) Weiting Yu et al.   CHEMICAL REVIEWS

Geometric Arrangement of Components in Bimetallic PdZn/Pd(111) Surfaces Modified by CO Adsorption: A Combined Study by Density Functional Calculations, Polarization-Modulated Infrared Reflection Absorption Spectroscopy, and Temperature-Programmed Desorption

(2012) Christian Weilach et al.   Journal of Physical Chemistry C

First-principles kinetic modeling in heterogeneous catalysis: an industrial perspective on best-practice, gaps and needs

(2012) Maarten K. Sabbe et al.   Catalysis Science & Technology

Descriptor-Based Analysis Applied to HCN Synthesis from NH3 and CH4

(2011) Lars C. Grabow et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Single-Event MicroKinetics of Aromatics Hydrogenation on Pt/H-ZSM22

(2011) Tapan Bera et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Surface Vibrational Spectroscopy Study of Benzene and 2,2,2-Trifluoroacetophenone on Pt(111)

(2011) Vincent Demers-Carpentier et al.   Journal of Physical Chemistry C

A first principles study of oxygen reduction reaction on a Pt(111) surface modified by a subsurface transition metal M (M = Ni, Co, or Fe)

(2011) Zhiyao Duan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structure evolution of Pt–3d transition metal alloys under reductive and oxidizing conditions and effect on the CO oxidation: a first-principles study

(2010) Hai-Yan Su et al.   CATALYSIS TODAY

Low-temperature 1,3-butadiene hydrogenation over supported Pt/3d/γ-Al2O3 bimetallic catalysts☆

(2010) William W. Lonergan et al.   CATALYSIS TODAY

Correlating extent of Pt–Ni bond formation with low-temperature hydrogenation of benzene and 1,3-butadiene over supported Pt/Ni bimetallic catalysts

(2010) William W. Lonergan et al.   JOURNAL OF CATALYSIS

Highly selective hydrogenation of butadiene on Pt/Sn alloy elucidated by first-principles calculations

(2010) F. Vigné et al.   JOURNAL OF CATALYSIS

Density functional theoretical study of pentacene/noble metal interfaces with van der Waals corrections: Vacuum level shifts and electronic structures

(2010) Kenji Toyoda et al.   JOURNAL OF CHEMICAL PHYSICS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

The Effect of CO and H Chemisorption on the Chemical Ordering of Bimetallic Clusters

(2010) Paul S. West et al.   Journal of Physical Chemistry C

Accurate surface and adsorption energies from many-body perturbation theory

(2010) L. Schimka et al.   NATURE MATERIALS

Assessing the quality of the random phase approximation for lattice constants and atomization energies of solids

(2010) Judith Harl et al.   PHYSICAL REVIEW B

On the stability of the CO adsorption-induced and self-organized CuPt surface alloy

(2010) K.J. Andersson et al.   SURFACE SCIENCE

Theoretical Prediction and Experimental Verification of Stability of Pt–3d–Pt Subsurface Bimetallic Structures: From Single Crystal Surfaces to Polycrystalline Films

(2010) Carl A. Menning et al.   TOPICS IN CATALYSIS

Establishing Relationships Between the Geometric Structure and Chemical Reactivity of Alloy Catalysts Based on Their Measured Electronic Structure

(2010) Neil Schweitzer et al.   TOPICS IN CATALYSIS

Correlating Benzene Hydrogenation Activity with Binding Energies of Hydrogen and Benzene on Co-Based Bimetallic Catalysts

(2009) Shuliang Lu et al.   CHEMPHYSCHEM

General trend for adsorbate-induced segregation of subsurface metal atoms in bimetallic surfaces

(2009) Carl A. Menning et al.   JOURNAL OF CHEMICAL PHYSICS

Catalytic enhancement of platinum supported on zeolite beta for toluene hydrogenation by addition of palladium

(2009) Sirinuch Loiha et al.   JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

Another way of looking at bonding on bimetallic surfaces: the role of spin polarization of surface metal d states

(2009) M C Escaño et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Alloys of platinum and early transition metals as oxygen reduction electrocatalysts

(2009) J. Greeley et al.   Nature Chemistry

Azobenzene at coinage metal surfaces: Role of dispersive van der Waals interactions

(2009) Erik R. McNellis et al.   PHYSICAL REVIEW B

Aromatic adsorption on metals via first-principles density functional theory

(2009) S. J. Jenkins   PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Low temperature hydrogenation of benzene and cyclohexene: A comparative study between γ-Al2O3 supported PtCo and PtNi bimetallic catalysts

(2008) S LU et al.   JOURNAL OF CATALYSIS

Adsorption of cyclohexene on nAu/Pt(100) (n=0, 1, 2): A DFT study

(2008) Wen-Ge Xu et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Reaction-Driven Restructuring of Rh-Pd and Pt-Pd Core-Shell Nanoparticles

(2008) F. Tao et al.   SCIENCE

Surface segregation in bimetallic Pt3M (M=Fe, Co, Ni) alloys with adsorbed oxygen

(2008) Yuguang Ma 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

Segregation and stability at Pt3Ni(111) surfaces and Pt75Ni25 nanoparticles

(2007) Ben Fowler et al.   ELECTROCHIMICA ACTA

Ab initio study of element segregation and oxygen adsorption on PtPd and CoCr binary alloy surfaces

(2007) Arezoo Dianat et al.   SURFACE SCIENCE

Pt surface segregation in bimetallic Pt3M alloys: A density functional theory study

(2007) Yuguang Ma et al.   SURFACE SCIENCE