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7 papers · 2 filters
Electrosorption of Br and Cl on Ag(100): Experiments and Computer Simulations
I. Abou Hamad, Th. Wandlowski, G. Brown +1
We present chronocoulometry experiments and equilibrium Monte Carlo simulations for the electrosorption of Br and Cl on Ag(100) single-crystal electrode surfaces. Two different met…
Structural and electronic properties of pentacene molecule and molecular pentacene solid
R. G. Endres, C. Y. Fong, L. H. Yang +2
The structural and electronic properties of a single pentacene molecule and a pentacene molecular crystal, an organic semiconductor, are examined by a first-principles method based…
Excited-state relaxations and Franck-Condon shift in Si quantum dots
A. Franceschetti, S. T. Pantelides
Excited-state relaxations in molecules are responsible for a red shift of the absorption peak with respect to the emission peak (Franck-Condon shift). The magnitude of this shift i…
Neutron Scattering Study of Relaxor Ferroelectric (1-x)Pb(Zn1/3Nb2/3)O3-xPbTiO3
D. La-Orauttapong, J. Toulouse, Z. -G. Ye +3
Neutron elastic diffuse scattering experiments performed on Pb(Zn1/3Nb2/3)O3 (PZN) and on its solid solution with PbTiO3(PT), known as PZN-xPT, with x=4.5% and 9% around many refle…
The Static and Dynamic Lattice Changes Induced by Hydrogen Adsorption on NiAl(110)
Aubrey T. Hanbicki, P. J. Rous, E. W. Plummer
Static and dynamic changes induced by adsorption of atomic hydrogen on the NiAl(110) lattice at 130 K have been examined as a function of adsorbate coverage. Adsorbed hydrogen exis…
Self-assembly of Nanometer-scale Magnetic Dots with Narrow Size Distributions on an Insulating Substrate
Zheng Gai, Biao Wu, J. P. Pierce +5
The self-assembly of iron dots on the insulating surface of NaCl(001) is investigated experimentally and theoretically. Under proper growth conditions, nanometer-scale magnetic iro…