Molecular dynamics study of H-2 dissociation on H-covered Pd(100)

Erstveröffentlichung
2010Authors
Lozano, Ariel
Gross, Axel
Busnengo, H. Fabio
Wissenschaftlicher Artikel
Published in
Physical Review B ; 81 (2010), 12. - Art.-Nr. 121402. - ISSN 1098-0121
Link to publication
https://dx.doi.org/10.1103/PhysRevB.81.121402Faculties
Fakultät für NaturwissenschaftenInstitutions
Institut für Theoretische ChemieSubject headings
[Free subject headings]: TOTAL-ENERGY CALCULATIONS | AUGMENTED-WAVE METHOD | HYDROGEN ADSORPTION | 100 SURFACES | BASIS-SET | PALLADIUM | METALS | PD(111) | EXCHANGE | RHODIUM[DDC subject group]: DDC 530 / Physics | DDC 620 / Engineering & allied operations