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Register a new userCurvature effect on the interaction between folded graphitic surface and silver clusters
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Evidence of curvature effects on the interaction and binding of silver clusters on folded graphitic surfaces has been shown from both experiment and theory. Density Functional Theory (DFT) calculations within the local density and generalized gradient approximations have been performed for the structural relaxation of both Ag and Ag$_2$ on curved surfaces, showing a cross-over from quantum to classical behaviour. Using Lennard-Jones potential to model the interaction between a single cluster and the graphene surface, evidence is found for the curvature effect on the binding of silver nano-particles to folding graphitic surfaces. The theoretical results are compared to SEM and AFM images of samples obtained from pre-formed silver cluster deposition on carboneous substrates exhibiting anisotropic pleat structures.
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Size-selected silver clusters on Ag(111) were fabricated with the tip of a scanning tunneling microscope. Unoccupied electron resonances give rise to image contrast and spectral features which shift toward the Fermi level with increasing cluster size. Linear assemblies exhibit higher resonance energies than equally sized compact assemblies. Density functional theory calculations reproduce the observed energies and enable an assignment of the resonances to hybridized atomic 5s and 5p orbitals with silver substrate states.
Surface Enhanced Raman Spectroscopy (SERS) is exploited here to investigate the interaction of isolated sp carbon chains (polyynes) in a methanol solution with silver nanoparticles. Hydrogen-terminated polyynes show a strong interaction with silver colloids used as the SERS active medium revealing a chemical SERS effect. SERS spectra after mixing polyynes with silver colloids show a noticeable time evolution. Experimental results, supported by density functional theory (DFT) calculations of the Raman modes, allow us to investigate the behavior and stability of polyynes of different lengths and the overall sp conversion towards sp2 phase.
We investigate the valence band structure of Pb on Ge(001) by Angle-Resolved Photoelectron Spectroscopy. Three Ge bands, G1, G2, and G3, were observed on Ge(001) 2x1 clean surface. In addition to these three bands, a forth band (R band) is found in the 2 ML of Pb coverage. The R band continues to appear even when the surface superstructure changed. The position of the R band does not depend on Pb coverage. These results indicate that the R band derives from Ge subsurface states known as surface resonance states. Furthermore, the effective mass of G3 is significantly reduced when this forth band exists. We found that this reduction of the G3 effective mass was explained by the interaction of the G3 and the surface resonance band. Consequently, the surface resonance band penetrates the Ge subsurface region affecting the Ge bulk states. We observed the hybridization between Ge states and the surface resonance states induced by Pb adsorption.
We report the experimental observation of the spin Seebeck effect (SSE) in Ag/CoFe noble metal/magnetic metal bilayers with a longitudinal structure. Thermal voltages jointly generated by the anomalous Nernst effect (ANE) and the SSE were detected across the Ag/CoFe/Cu strip with a perpendicular thermal gradient. To effectively separate the SSE and the ANE part of the thermal voltages, we compared the experimental results between the Ag/CoFe/Cu strip and Cu/CoFe/Cu strip, where two samples processed with the heating power instead of the temperature difference through the thin CoFe film. The respective contributions of the ANE and SSE to thermal voltage were determined, and they have the ratio of 4:1. The spin current injected through CoFe/Ag interface is calculated to be 1.76 mA/W.
We study the effect of boron (B) and Phosphorous (P) co-doping on electronic and optical properties of graphitic carbon nitride (g-C$_3$N$_4$ or GCN) monolayer using density functional simulations. The energy band structure indicates that the incorporation of B and P into a hexagonal lattice of GCN reduces the energy band gap from $3.1$ for pristine GCN to $1.9$ eV, thus extending light absorption toward the visible region. Moreover, on the basis of calculating absorption spectra and dielectric function, the co-doped system exhibits an improved absorption intensity in the visible region and more electronic transitions, which named $pi^*$ electronic transitions that occurred and were prohibited in the pristine GCN. These transitions can be attributed to charge redistribution upon doping, caused by distorted configurable B/P co-doped GCN confirmed by both electron density and Mulliken charge population. Therefore, B/P co-doped GCN is expected to be an auspicious candidate to be used as a promising photoelectrode in Photoelectrochemical water splitting reactions leading to efficient solar H$_2$ production.
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