The interaction of silanes with silicon single crystal surfaces: microscopic processes and structures

Electronic Properties of Disilane: An ab initio Calculation

“…From the optimized geometries we conclude that the magnitude of the rotational energy red-shift is 0.043 eV (1.0 kcal/mol), which is comparable to the experimental result of 1.26 kcal/mol [15] and to the theoretical calculations of Pophristic et al [5] and of Cho et al [6]. This energy corresponds to a temperature of around 500 K, which is much higher than the typical experimental temperatures (as in CVD [16]), and implies that at low temperatures a mixture of both conformations will be found. The relative fractions depend on temperature and on the annealing.…”

The influence of filament material on radical production in hot wire chemical vapor deposition of a-Si:H

“…The fact that the reaction rate is strongly dependent on temperature at low temperature and insensitive to temperature in the high temperature region indicates that the Si production is controlled by filament surface reaction in the low-temperature regime and by mass transfer resistance and adsorption of silane in the high-temperature regime. An analogous procedure can be found in the CVD process of crystalline silicon [16]. This mechanism was also proposed by studying Si radical at different silane fluxes [17].…”

“…Table 1 lists the proposed intermediate reactions and the corresponding kinetic parameters used to fit the experimental data. These kinetic parameters have been varied within the range of the estimated pseudo first-order pre-exponential factors and activation energies acquired from the literature [16,24,25,28,31,34,35]. In this model, we assume that silane decomposition occurs on a clean Ta or Mo surface, but on a silicon layer-covered W and Re surface, consistent with the previous discussion.…”

Communication: Angle-resolved thermal dissociative sticking of CH4 on Pt(111): Further indication that rotation is a spectator to the gas-surface reaction dynamics

“…Activated dissociative chemisorption is a fundamental reaction that can be the rate-determining step in catalytic 1 and chemical vapor deposition 2 processes of industrial importance. Moreover, this kind of gas-surface reaction provides unusually diverse experimental opportunities to test theoretical models of reactivity at surfaces because the gas-phase reactants can be prepared in specific initial states prior to their encounter with the surface.…”