Ontology highlight
ABSTRACT:
SUBMITTER: Lansford JL
PROVIDER: S-EPMC5705602 | biostudies-literature | 2017 Nov
REPOSITORIES: biostudies-literature
Lansford Joshua L JL Mironenko Alexander V AV Vlachos Dionisios G DG
Nature communications 20171129 1
Adsorbate vibrational excitations are an important fingerprint of molecule/surface interactions, affecting temperature contributions to the free energy and impacting reaction rate and equilibrium constants. Furthermore, vibrational spectra aid in identifying species and adsorption sites present in experimental studies. Despite their importance, knowledge of how adsorbate frequencies scale across materials is lacking. Here, by combining previously reported experimental data and our own density-fu ...[more]