A systematic DFT study of substrate reconstruction effects due to thiolate and selenolate adsorption
Wissenschaftlicher Artikel
Faculties
Fakultät für NaturwissenschaftenInstitutions
Helmholtz-Institut UlmInstitut für Theoretische Chemie
Published in
Surface science ; 640 (2015). - S. 18-24. - ISSN 0039-6028. - eISSN 1879-2758
Link to publication
https://dx.doi.org/10.1016/j.susc.2015.04.003Keywords
Thiolates; Metal surfaces; Adsorption; Density functional theory calculations; Correction for dispersion; SELF-ASSEMBLED MONOLAYERS; TOTAL-ENERGY CALCULATIONS; SURFACE-DEFECTS; GOLD ADATOMS; AU(111); METHYLTHIOLATE; BENZENETHIOL; INTERFACE; STABILITY; CHEMISTRYDewey Decimal Group
DDC 530 / PhysicsDDC 540 / Chemistry & allied sciences