The competition between C-C and C-H insertion in model transition-metal reactions with cyclopropane and propene (C3H6) was studied as a function of total energy. Insertion of neutral transition metal atoms M (= Y, Zr, Nb, and Mo*) into the C-C bonds of cyclopropane led to formation of MCH2 + C2H4, whereas C-H insertion produced MC3H4 + H2. The measured product branching ratios verify the relati...

We report on an element-dependent critical size for argon physisorption at 80 K on transition-metal-doped silicon clusters. Argon does not attach to elemental silicon clusters but only to surface-located transition-metal atoms. Thus physisorption provides structural information. Specifically, the minimal cluster size for the formation of endohedral singly metal-doped silicon cages has been dete...

As one of the first experimentally found and naturally stable two-dimensional (2D) ferromagnetic materials, monolayer Cr 2 Ge Te 6 has garnered great interest due to its potential hires in electronics spintronics. Yet, Curie temperature is lower than ambient temperature, severely restricting creation valuable devices. Using first-principle calculations, we explored how adsorption 3 d transition...

Hot electrons and holes created at Ag and Cu surfaces by adsorption of thermal hydrogen and deuterium atoms have been measured directly with ultrathin metal film Schottky diode detectors on Si(111). When the metal surface is exposed to these atoms, charge carriers are excited at the surface, travel ballistically toward the interface, and have been detected as a chemicurrent in the diode. The cu...

Transition metal doped chalcogenides are one of the most important classes catalysts that have been attracting increasing attention for petrochemical and energy related chemical transformations due to their unique physiochemical properties. For practical applications, achieving maximum atom utilization by homogeneous dispersion metals on surface is essential. Herein, we report a detailed study ...

Single magnetic Co atoms are deposited on atomically thin NaCl films on Au(111). Two different adsorption sites are revealed by high-resolution scanning tunneling microscopy (STM), i.e., at Na and at Cl locations. Using density functional based simulations of the STM images, we show that the Co atoms substitute with either a Na or Cl atom of the NaCl surface, resulting in cationic and anionic C...