AuS and SH Bond Formation/Breaking during the Formation of Alkanethiol SAMs on Au(111): A Theoretical Study

Erstveröffentlichung
2010Authors
Tielens, Frederik
Santos, Elizabeth
Wissenschaftlicher Artikel
Published in
Journal of Physical Chemistry C ; 114 (2010), 20. - S. 9444-9452. - ISSN 1932-7447. - eISSN 1932-7455
Link to publication
https://dx.doi.org/10.1021/jp102036rFaculties
Fakultät für NaturwissenschaftenInstitutions
Institut für Theoretische ChemieSubject headings
[Free subject headings]: SELF-ASSEMBLED MONOLAYERS | DENSITY-FUNCTIONAL THEORY | GENERALIZED GRADIENT APPROXIMATION | OXYGEN-ADSORPTION | SURFACE | SULFUR | GOLD | CYSTEINE | CHEMISORPTION | ENERGETICS[DDC subject group]: DDC 540 / Chemistry & allied sciences | DDC 620 / Engineering & allied operations