A DFT+U study of acetylene selective hydrogenation on oxygen defective anatase (101) and rutile (110) TiO2 supported Pd4 cluster

Density functional theory study of the effect of subsurface H, C, and Ag on C2H2 hydrogenation on Pd(111)

(2011) Pavithra Tiruppathi et al.   CATALYSIS TODAY

Origin of Oxidation and Support-Induced Structural Changes in Pd4 Clusters Supported on TiO2

(2011) S. Vincent Ong et al.   Journal of Physical Chemistry C

Hydrogen Adsorption and Diffusion on the Anatase TiO2(101) Surface: A First-Principles Investigation

(2011) Mazharul M. Islam et al.   Journal of Physical Chemistry C

Effect of surface hydroxyls on selective CO2 hydrogenation over Ni4/γ-Al2O3: A density functional theory study

(2010) Yun-xiang Pan et al.   JOURNAL OF CATALYSIS

Role of Hydrogen Species in Palladium-Catalyzed Alkyne Hydrogenation

(2010) Detre Teschner et al.   Journal of Physical Chemistry C

Comment on “Imaging of the Hydrogen Subsurface Site in RutileTiO2”

(2010) M. Calatayud et al.   PHYSICAL REVIEW LETTERS

Hydrogenation of acetylene–ethylene mixtures over Pd and Pd–Ag alloys: First-principles-based kinetic Monte Carlo simulations

(2009) Donghai Mei et al.   JOURNAL OF CATALYSIS

Mechanism of Ethanol Synthesis from Syngas on Rh(111)

(2009) YongMan Choi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Oxygen vacancy induced ferromagnetism in rutile TiO2-x

(2009) Guang-bing Han et al.   Physica Status Solidi-Rapid Research Letters

On the Role of Surface Modifications of Palladium Catalysts in the Selective Hydrogenation of Acetylene

(2008) Felix Studt et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Selective Hydrogenation of Ethyne in Ethene‐Rich Streams on Palladium Catalysts, Part 2: Steady‐State Kinetics and Effects of Palladium Particle Size, Carbon Monoxide, and Promoters

(2008) Andrzej Borodziński et al.   CATALYSIS REVIEWS-SCIENCE AND ENGINEERING

Diffusion versus Desorption: Complex Behavior of H Atoms on an Oxide Surface

(2008) X.-L. Yin et al.   CHEMPHYSCHEM

Excess electron states in reduced bulk anatase TiO2: Comparison of standard GGA, GGA+U, and hybrid DFT calculations

(2008) Emanuele Finazzi et al.   JOURNAL OF CHEMICAL PHYSICS

Density Functional Theory Study of the Adsorption of Formaldehyde on Pd4and on Pd4/γ-Al2O3Clusters†

(2008) José Walkimar de M. Carneiro et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Nucleation and Growth of Palladium Clusters on Anatase TiO2(101) Surface: A First Principle Study

(2008) Jinli Zhang et al.   Journal of Physical Chemistry C

Charge Dynamics in Thermally and Doping Induced Insulator-Metal Transitions of(Ti1−xVx)2O3

(2008) M. Uchida et al.   PHYSICAL REVIEW LETTERS

The Roles of Subsurface Carbon and Hydrogen in Palladium-Catalyzed Alkyne Hydrogenation

(2008) D. Teschner et al.   SCIENCE

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

(2008) F. Studt et al.   SCIENCE