Ontology highlight
ABSTRACT:
SUBMITTER: Blowey PJ
PROVIDER: S-EPMC6088372 | biostudies-literature | 2018 Aug
REPOSITORIES: biostudies-literature
Blowey P J PJ Velari S S Rochford L A LA Duncan D A DA Warr D A DA Lee T-L TL De Vita A A Costantini G G Woodruff D P DP
Nanoscale 20180801 31
The archetypal electron acceptor molecule, TCNQ, is generally believed to become bent into an inverted bowl shape upon adsorption on the coinage metal surfaces on which it becomes negatively charged. New quantitative experimental structural measurements show that this is not the case for TCNQ on Ag(111). DFT calculations show that the inclusion of dispersion force corrections reduces not only the molecule-substrate layer spacing but also the degree of predicted molecular bonding. However, comple ...[more]