Publications with the keyword "surface chemistry"


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P. Alexa, J. Lombardi, P. Abufager, H. Busnengo, D. Grumelli, V. Vyas, F. Haase, B. Lotsch, et al.
Enhancing Hydrogen Evolution Activity of Au(111) in Alkaline Media through Molecular Engineering of a 2D Polymer
Angewandte Chemie - International Edition (cited By 0), 59(22), 8411-8415, 2020
alkalinity catalyst activity chemical bonds density functional theory electrocatalysis electronic structure gold hydrogen polymers porous materials renewable energy resources surface chemistry surface reactions electrocatalytic reactions evolution of hydrogens hybrid catalysts hydrogen evolution hydrogen evolution reaction activities molecular engineering renewable energy source ullmann-type couplings hydrogen evolution reaction
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P. Lustemberg, Y. Pan, B.-J. Shaw, D. Grinter, C. Pang, G. Thornton, R. Pérez, M. Ganduglia-Pirovano, et al.
Diffusion Barriers Block Defect Occupation on Reduced CeO2 (111)
Physical Review Letters (cited By 12), 116(23), 2016
adatoms adsorption agglomeration charge transfer density functional theory diffusion barriers electron transport properties oxygen vacancies scanning tunneling microscopy surface chemistry adsorption behavior adsorption characteristic density functional theory studies diffusive motions electron transfer electron transport elevated temperature polaronic effects surface defects
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S. Sakong, C. Mosch, A. Lozano, H. Busnengo, and A. Groß
Lowering energy barriers in surface reactions through concerted reaction mechanisms
ChemPhysChem (cited By 18), 13(15), 3467-3471, 2012
calculations catalysis chemical bonds density functional theory hydrocarbons surface chemistry complex chemical reactions concerted reactions elementary reaction first-principles calculation methanol synthesis periodic density functional theory calculations rate-limiting steps reaction mechanism surface reactions
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J. Ferrón, L. Gómez, J. D. Miguel, and R. Miranda
Nonstochastic behavior of atomic surface diffusion on Cu(111) down to low temperatures
Physical Review Letters (cited By 17), 93(16), 166107-1-166107-4, 2004
activation analysis correlation methods diffusion epitaxial growth molecular dynamics monomers potential energy surface chemistry temperature control activation barriers atomic jumps atomic surface diffusion random walk model copper compounds
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G. Volpilhac, H. Busnengo, W. Dong, and A. Salin
Scattering of atomic nitrogen on W(1 0 0)
Surface Science (cited By 17), 544(23), 329-338, 2003
absorption adsorption crystal lattices kinetic energy lattice vibrations potential energy tungsten dynamical trapping surface chemistry
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