By Rui-Qin Zhang
In this quantity, Prof. Zhang experiences the systematic theoretical reports in his team at the progress mechanisms and houses of silicon quantum dots, nanotubes and nanowires, together with: mechanisms of oxide-assisted development of silicon nanowires, full of life balance of pristine silicon nanowires and nanotubes, thermal balance of hydrogen terminated silicon nanostructures, size-dependent oxidation of hydrogen terminated silicon nanostructures, excited-state leisure of hydrogen terminated silicon nanodots, and direct-indirect strength band transitions of silicon nanowires and sheets through floor engineering and straining. He additionally discusses the capability functions of those findings. This e-book will ordinarily profit these contributors of the medical and study group operating in nanoscience, floor technological know-how, nanomaterials and similar fields.
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Additional resources for Growth Mechanisms and Novel Properties of Silicon Nanostructures from Quantum-Mechanical Calculations
46 Å in Si29H24, which results in structures with lower formation energy and smaller energy gaps in comparison to bulk-like species. If the size further increases ([Si78H52), the bond lengths of Si–Si dimers tend to be close to the Si–Si bond lengths in bulk-like particles in ground state, so the absorption energies follow the usual size dependence of bulk-like particles. , weakened) in the ground state in particles (\Si78H52), these surface dimer bonds would be susceptible to further weakening on photoexcitation than the other bonds.
Studied the reaction dynamics of atomic hydrogen with the hydrogenated Si(001) surfaces , and the H2 adsorption and desorption on Si(001) surfaces [72, 73]. Lee et al. studied the role of hydrogen using first-principles theory for Si adatom adsorption and diffusion on hydrogenated Si(001) surfaces . To our knowledge, there have been very few theoretical studies relating to the detailed structures of the hydrogen-terminated silicon nanocrystals. We have studied the structures of hydrogenated Si nanocrystals and nanoclusters using the empirical tight-binding method .
Zhang RQ, Lu WC, Lee ST (2002) Appl Phys Lett 80:4223 93. 5 nm. The effect is much reduced at a larger size due to the improved structural rigidity and also due to the delocalization of the excited electrons. The latter can also be achieved by elongating the nanostructure in a certain direction. One-dimensional silicon nanowires present energy band structures of strong orientation and size dependences. 5. At a larger aspect ratio, the bandgap becomes direct. The bandgap can also be tuned by applying external stress, to direct one with a compression up to 5 %, but keeps indirect under a tensile stress.