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Download fileThermally Activated Reactions of Phenol at the Ge(100)‑2 × 1 Surface
journal contribution
posted on 16.10.2020, 22:54 authored by Bonggeun Shong, Abu Saad Ansari, Stacey F. BentOrganic functionalization of semiconductor
surfaces may be utilized
to couple the properties of semiconductor materials with organic molecules.
In this work, the adsorption and thermal reactions of phenol on the
Ge(100)-2 × 1 surface were studied. A combination of multiple
internal reflection Fourier transform infrared (MIR-FTIR) spectroscopy
under ultrahigh vacuum (UHV) conditions and density functional theory
(DFT) calculations was used to elucidate the surface chemical reactions
of phenol. While phenol initially chemisorbs on Ge(100)-2 × 1
at 300 K via O–H dissociation to form phenoxy (C6H5O*), annealing to 573 K transforms the adsorbate into
phenyl (C6H5*). A sequential reaction pathway
for the migration of oxygen into substrate and formation of phenyl
is suggested, which requires significant thermal activation and yields
slight exothermicity.