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Tungsten and cobalt carbonyls adsorbed on a substrate are typical startingpoints for the electron beam induced deposition of tungsten or cobalt basedmetallic nanostructures. We employ first principles molecular dynamicssimulations to investigate the dynamics and vibrational spectra of W(CO)6 andW(CO)5 as well as Co2(CO)8 and Co(CO)4 precursor molecules on fully andpartially hydroxylated silica surfaces. Such surfaces resemble the initialconditions of electron beam induced growth processes. We find that both W(CO)6and Co2(CO)8 are stable at room temperature and mobile on a silica surfacesaturated with hydroxyl groups (OH), moving up to half an Angstr\"om perpicosecond. In contrast, chemisorbed W(CO)5 or Co(CO)4 ions at room temperaturedo not change their binding site. These results contribute to gainingfundamental insight into how the molecules behave in the simulated time windowof 20ps and our determined vibrational spectra of all species providesignatures for experimentally distinguishing the form in which precursors covera substrate.

Dynamics of tungsten hexacarbonyl, dicobalt octacarbonyl and their fragments adsorbed on silica surfaces