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- W2008109279 abstract "Abstract The mechanism and energetics are presented of the dimerization of two adsorbed surface SiH 2 groups on the H-terminated Si(0 0 1)-(2 × 1) surface to form Si 2 H 4 species during the initial stages of growth in plasma deposition of hydrogenated amorphous silicon (a-Si:H) films. The reactions are observed during classical molecular-dynamics (MD) simulations of a-Si:H film deposition from SiH 2 radical precursors impinging on an initially H-terminated Si(0 0 1)-(2 × 1) surface and substrate temperature, T , over the range 500⩽ T ⩽700 K. The Si 2 H 4 species resulting from the surface SiH 2 dimerization reactions undergo surface conformational changes resulting in either a non-rotated (NRD) or a rotated dimer (RD) configuration. The RD configuration is found to be the energetically favorable one. The MD simulation results for the structure of the NRD and RD surface Si 2 H 4 configurations corroborate with ab initio calculations of optimized adsorption configurations of SiH 2 radicals on crystalline Si surfaces, as well as results of STM imaging of the thermal decomposition of disilane on Si(0 0 1)." @default.
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- W2008109279 date "2003-08-01" @default.
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- W2008109279 title "Mechanism and energetics of dimerization of SiH2 radicals on H-terminated Si()-(2×1) surfaces" @default.
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- W2008109279 doi "https://doi.org/10.1016/s0039-6028(03)00869-0" @default.
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