Reaction Behaviors of S‐, O‐, and N‐containing Aliphatic Molecules with a Propyl Moiety on Ge(100) Surface

• Published in: Chemphyschem Vol. 22; no. 16; pp. 1722 - 1726
• Main Authors: Park, Sangjune, Kim, Ki‐jeong, Nam, Jeong‐Woo, Youn, Young‐Sang
• Format: Journal Article
• Language: English
• Published: Weinheim Wiley Subscription Services, Inc 18.08.2021
• Subjects: 1-propanethiol; 1-propanol; Adsorption; Aliphatic compounds; aliphatic molecule; Density functional theory; Ge surface; Photoelectric emission; propylamine; Room temperature; Surface chemistry
• ISSN: 1439-4235; 1439-7641
• DOI: 10.1002/cphc.202100250

The reaction pathways of 1‐propanethiol, 1‐propanol, and propylamine molecules, containing a propyl moiety, on a Ge(100) surface were investigated using high‐resolution photoemission spectroscopy (HRPES) experiments and density functional theory (DFT) calculations. Upon analysis of the HRPES data, the adsorption of 1‐propanethiol and 1‐propanol was found to occur through a dissociation reaction, whereas that of propylamine took place via N dative bonding at room temperature. On the basis of our DFT results, adsorption geometries and transition states for each of these molecules on the Ge(100) surface were confirmed. Systematic studies of S‐, O‐, and N‐containing molecules, composed of an identical propyl moiety, on the Ge(100) surface provide insight into the adsorption mechanism of aliphatic molecules containing alkyl chains on the Ge(100) surface. Reaction behaviors of three aliphatic molecules on Ge(100): The adsorptions of 1‐propanethiol and 1‐propanol through dissociation reaction and that of propylamine via N dative bonding on Ge(100) surface were confirmed by a combination of high‐resolution photoemission spectroscopy experiments and density functional theory calculations.