Search results for "adatom"
showing 3 items of 3 documents
Dissociative adsorption of water on Au/MgO/Ag(001) from first principles calculations
2015
Abstract The molecular and dissociative adsorption of water on a Ag-supported 1 ML, 2 ML and 3 ML-a six atomic layer-thick MgO films with a single Au adatom is investigated using density functional theory calculations. The obtained results are compared to a bulk MgO(001) surface with an Au atom. On thin films the negatively charged Au strengthens the binding of the polar water molecule due to the attractive Au–H interaction. The adsorption energy trends of OH and H with respect to the film thickness depend on an adsorption site. In the case OH or H binds atop Au on MgO/Ag(001), the adsorption becomes more exothermic with the increasing film thickness, while the reverse trend is seen when th…
Discerning the Origins of the Amplitude Fluctuations in Dynamic Raman Nanospectroscopy
2012
International audience; We introduce a novel experimental and analytical method for discerning rare surface-enhanced Raman scattering (SERS) events observable at the nanoscale. We show that the kinetics of the Raman activity recorded on an isolated nanostructure is punctuated by intense and rare events of large amplitude and spectral variations. The fluctuations of thousands of SERS spectra were analyzed statistically in terms of power density functions, and the occurrence of the rare events was quantified by a wavenumber statistics. Our analysis enables one to extract valuable and unique spectroscopic signature of Raman variations usually hidden in time-average or space-average measurement…
Island Diffusion on Metal fcc (100) Surfaces
1999
We present Monte Carlo simulations for the size and temperature dependence of the diffusion coefficient of adatom islands on the Cu(100) surface. We show that the scaling exponent for the size dependence is not a constant but a decreasing function of the island size and approaches unity for very large islands. This is due to a crossover from periphery dominated mass transport to a regime where vacancies diffuse inside the island. The effective scaling exponents are in good agreement with theory and experiments.