Theoretical insights into the promotion effect of subsurface boron for the selective hydrogenation of CO to methanol over Pd catalysts

Importance of surface carbide formation on the activity and selectivity of Pd surfaces in the selective hydrogenation of acetylene

(2016) Bo Yang et al.   SURFACE SCIENCE

Selective Synthesis of Methanol and Higher Alcohols over Cs/Cu/ZnO/Al2O3 Catalysts

(2015) Jie Sun et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Density Functional Theory Comparison of Methanol Decomposition and Reverse Reactions on Metal Surfaces

(2015) Rodrigo Garcı́a-Muelas et al.   ACS Catalysis

Effect of Boron Modifications of Palladium Catalysts for the Production of Hydrogen from Formic Acid

(2015) Jong Suk Yoo et al.   ACS Catalysis

Selective Hydrogenation of Acetylene over Pd–Boron Catalysts: A Density Functional Theory Study

(2014) Bo Yang et al.   Journal of Physical Chemistry C

Mechanistic Study of 1,3-Butadiene Formation in Acetylene Hydrogenation over the Pd-Based Catalysts Using Density Functional Calculations

(2014) Bo Yang et al.   Journal of Physical Chemistry C

Interstitial modification of palladium nanoparticles with boron atoms as a green catalyst for selective hydrogenation

(2014) Chun Wong Aaron Chan et al.   Nature Communications

On the effect of coverage-dependent adsorbate–adsorbate interactions for CO methanation on transition metal surfaces

(2013) Adam C. Lausche et al.   JOURNAL OF CATALYSIS

Influence of surface structures, subsurface carbon and hydrogen, and surface alloying on the activity and selectivity of acetylene hydrogenation on Pd surfaces: A density functional theory study

(2013) Bo Yang et al.   JOURNAL OF CATALYSIS

CO Hydrogenation on Pd(111): Competition between Fischer–Tropsch and Oxygenate Synthesis Pathways

(2013) Sen Lin et al.   Journal of Physical Chemistry C

Evidence To Challenge the Universality of the Horiuti–Polanyi Mechanism for Hydrogenation in Heterogeneous Catalysis: Origin and Trend of the Preference of a Non-Horiuti–Polanyi Mechanism

(2013) Bo Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Activity and Selectivity Trends in Synthesis Gas Conversion to Higher Alcohols

(2013) Andrew J. Medford et al.   TOPICS IN CATALYSIS

Understanding the Optimal Adsorption Energies for Catalyst Screening in Heterogeneous Catalysis

(2013) Bo Yang et al.   ACS Catalysis

High energy resolution fluorescence detection XANES – an in situ method to study the interaction of adsorbed molecules with metal catalysts in the liquid phase

(2013) Haresh G. Manyar et al.   Catalysis Science & Technology

CO and CO2 Hydrogenation to Methanol Calculated Using the BEEF-vdW Functional

(2012) Felix Studt et al.   CATALYSIS LETTERS

Effects of mesoporous silica supports and alkaline promoters on activity of Pd catalysts in CO2 hydrogenation for methanol synthesis

(2012) Naoto Koizumi et al.   CATALYSIS TODAY

Selective Hydrogenation of α,β-Unsaturated Aldehydes and Ketones using Novel Manganese Oxide and Platinum Supported on Manganese Oxide Octahedral Molecular Sieves as Catalysts

(2012) Haresh G. Manyar et al.   ChemCatChem

Comparative study of hydrotalcite-derived supported Pd2Ga and PdZn intermetallic nanoparticles as methanol synthesis and methanol steam reforming catalysts

(2012) Antje Ota et al.   JOURNAL OF CATALYSIS

A density functional theory study of hydrogen dissociation and diffusion at the perimeter sites of Au/TiO2

(2012) Bo Yang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The Active Site of Methanol Synthesis over Cu/ZnO/Al2O3 Industrial Catalysts

(2012) M. Behrens et al.   SCIENCE

Origin of the Increase of Activity and Selectivity of Nickel Doped by Au, Ag, and Cu for Acetylene Hydrogenation

(2012) Bo Yang et al.   ACS Catalysis

Anthropogenic Chemical Carbon Cycle for a Sustainable Future

(2011) George A. Olah et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Acrolein hydrogenation on Pt(211) and Au(211) surfaces: a density functional theory study

(2011) Bo Yang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Fast Prediction of Selectivity in Heterogeneous Catalysis from Extended Brønsted-Evans-Polanyi Relations: A Theoretical Insight

(2009) David Loffreda et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Reactivity Theory of Transition-Metal Surfaces: A Brønsted−Evans−Polanyi Linear Activation Energy−Free-Energy Analysis

(2009) Rutger A. van Santen et al.   CHEMICAL REVIEWS

Direct versus Hydrogen-Assisted CO Dissociation

(2009) Sharan Shetty et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

CO Dissociation on the Ru(112̅1) Surface

(2008) S. Shetty et al.   Journal of Physical Chemistry C

Brønsted−Evans−Polanyi Relation of Multistep Reactions and Volcano Curve in Heterogeneous Catalysis

(2008) Jun Cheng et al.   Journal of Physical Chemistry C