Year of publication
2012
Journal
Journal of Catalysis
Volume
293
Starting page
205
Ending page
214
... The energies of formation and mobilities of Cu surface species on Cu and ZnO in methanol and water gas shift atmospheres studied ... ZnO surface energies . ... Å between the slabs was found to be sufficient, as further increase to 15 Å resulted in a calculated energy difference below ...
Keywords
methanol synthesis; water-gas shift; cu/zno catalysts; sintering; adsorbate-metal complex; density functional theory calculations; coalescence; ostwald ripening; ab-initio analysis; electronic-structure; structural-properties; synthesis catalysts; cu(111) surfaces; cu/zno catalysts; co adsorption; silver atoms; copper; alpha-al2o3(0001)
Research Areas
Funding sources
SUNCAT People