On the Kinetic Interpretation of DFT-Derived Energy Profiles: Cu-Catalyzed Methanol Synthesis

Thermochemistry and micro-kinetic analysis of methanol synthesis on ZnO (0001)

(2013) Andrew J. Medford et al.   JOURNAL OF CATALYSIS

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

(2012) Felix Studt et al.   CATALYSIS LETTERS

CO hydrogenation to methanol on Cu–Ni catalysts: Theory and experiment

(2012) Felix Studt et al.   JOURNAL OF CATALYSIS

Theoretical Study of Syngas Hydrogenation to Methanol on the Polar Zn-Terminated ZnO(0001) Surface

(2012) Ya-Fan Zhao et al.   Journal of Physical Chemistry C

Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

(2012) Jess Wellendorff et al.   PHYSICAL REVIEW B

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

(2012) M. Behrens et al.   SCIENCE

Hydrogen Adsorption on Co Surfaces: A Density Functional Theory and Temperature Programmed Desorption Study

(2012) Pieter van Helden et al.   ACS Catalysis

Insight into methanol synthesis from CO2 hydrogenation on Cu(111): Complex reaction network and the effects of H2O

(2011) Ya-Fan Zhao et al.   JOURNAL OF CATALYSIS

Theoretical Study of Methanol Synthesis from CO2 Hydrogenation on Metal-Doped Cu(111) Surfaces

(2011) Yixiong Yang et al.   Journal of Physical Chemistry C

Mechanism of Methanol Synthesis on Cu through CO2and CO Hydrogenation

(2011) L. C. Grabow et al.   ACS Catalysis

Fundamental studies of methanol synthesis from CO2 hydrogenation on Cu(111), Cu clusters, and Cu/ZnO(0001̄)

(2010) Yixiong Yang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Reaction intermediates of methanol synthesis and the water–gas-shift reaction on the ZnO(0001) surface

(2010) Katawut Chuasiripattana et al.   SURFACE SCIENCE