Physics / Fizik
Permanent URI for this collectionhttps://hdl.handle.net/11147/6
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Article Citation - WoS: 50Citation - Scopus: 53Nanoscale Oxide Growth on Al Single Crystals at Low Temperatures: Variable Charge Molecular Dynamics Simulations(American Physical Society, 2006) Hasnaoui, A.; Politano, O.; Salazar, J. M.; Aral, GürcanWe investigate the oxidation of aluminum low-index surfaces [(100), (110), and (111)] at low temperatures (300-600 K) and three different gas pressure values. We use molecular dynamics (MD) simulations with dynamic charge transfer between atoms where the interaction between atoms is described by the Es+ potential composed of the embedded atom method (EAM) potential and an electrostatic contribution. In the considered temperature range and under different gas pressure conditions, the growth kinetics follow a direct logarithmic law where the oxide thickness is limited to a value of ∼3 nm. The fitted curves allow us to determine the temperature and the pressure dependencies of the parameters involved in the growth law. During the adsorption stage, we observe a rotation of the oxygen pair as a precursor process to its dissociation. In most cases, the rotation aligns the molecule vertically to the Al surface. The separation distance after dissociation ranges from 3 to 9. Atomistic observations revealed that the oxide presents a dominant tetrahedral (Al O4) environment in the inner layer and mixed tetrahedral and octahedral (Al O6) environments in the outer oxide region when the oxide thickness reaches values beyond ∼2 nm.Conference Object Citation - WoS: 76Citation - Scopus: 80Stability of Microcrystalline Silicon for Thin Film Solar Cell Applications(Institute of Electrical Engineers, 2003) Finger, Friedhelm; Carius, Reinhard; Dylla, Thorsten; Klein, Stefan; Okur, Salih; Güneş, MehmetThe development of microcrystalline silicon (μc-Si:H) for solar cells has made good progress with efficiencies better than those of amorphous silicon (a-Si:H) devices. Of particular interest is the absence of light-induced degradation in highly crystalline μc-Si:H. However, the highest efficiencies are obtained with material which may still include a-Si:H regions and light-induced changes may be expected in such material. On the other hand, material of high crystallinity is susceptible to in-diffusion of atmospheric gases which, through adsorption or oxidation, affect the electronic transport. Investigations are presented of such effects concerning the stability of μc-Si:H films and solar cells prepared by plasma-enhanced chemical vapour deposition and hot wire chemical vapour deposition.