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In systems in atomic and nano scales such as clusters or agglomerates constituted of particles from a few to less than one hundred of atoms, quantum confinement effects are very important. Their optical and electronic properties are often dependent on the size of the systems and the way in which the atoms in these clusters are bonded. Generally, these nano-structures display optical and electronic properties significantly different of those found in corresponding bulk materials. Silicon agglomerates found in Silicon Rich Oxide (SRO) films have optical properties, which have reported as depended directly on nano-crystal size. Furthermore, the room temperature photoluminescence (PL) of Silicon Rich Oxides (SRO) has repeatedly generated a huge interest due to their possible applications in optoelectronic devices. However, a plausible emission mechanism has not yet widespread acceptance of the scientific community. In this research, we employed the Density Functional Theory with a functional B3LYP and a basis set 6 -31G* to calculate the optical and electronic properties of small (six to ten silicon atoms) and medium size clusters of silicon (constituted of eleven to fourteen silicon atoms). With the theoretical calculation of the structural and optical properties of silicon clusters, it is possible to evaluate the contribution of silicon agglomerates in the luminescent emission mechanism experimentally found in thin SRO films.

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RESUMENPara iniciar el estudio se realizó una revisión bibliográfica de los antecedentes relacionados a estudios de investigación sobre la influencia de la disciplina operativa durante el carguío y su rendimiento de las emulsiones encartuchadas, ante tal hecho históricamente se han realizado estudios experimentales sobre el comportamiento de los explosivos en base a nitrocarbonitratos (NCN) en la gama de emulsiones, estas mezclas explosivas presentan comportamientos variables en sus características técnicas principalmente en la velocidad de detonación influenciado por diferentes factores y condiciones de operación.Palabra Clave: Explosivo, emulsiones, disciplina operativa, velocidad de detonación.