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Silicon Oxide Nanoparticles Reveal the Origin of Silicate Grains in Circumstellar Environments

机译:氧化硅纳米颗粒揭示了星际环境中硅酸盐颗粒的起源

摘要

The processes leading to the widespread presence of crystalline silicates throughout the galaxy and the origin of silicon nanoparticles thought to be responsible for the observed extended red emission in diffuse galactic background are still far from being understood. One of the most abundant oxygen bearing species in molecular astronomical regions is SiO. It has been conjectured that silicate formation probably proceeds via the agglomeration of these molecular species; however there are no studies to reveal the microscopic mechanism. We have used a synergistic approach combining experiments in molecular beams and first principles theoretical calculation to demonstrate that the passage from SiO to Si02 proceeds via gradual oxygen enrichment of SinOm clusters and that the smallest cascade involves Si203, S304, Si405, Si506 as the intermediate products. We also demonstrate that as the SiO molecules cluster together, the chemistry drives the agglomerates towards configurations such that the central core are pure Sin clusters while the outer shell are SiO2 molecules. The gap between the highest occupied molecular orbital and the lowest unoccupied molecular orbital range from 0.84 to 3.84 eV and hence can contribute to the observed extended red emission and blue luminescence. The findings are of general interest in Astrophysics but are also critical to a fundamental understanding of the interstellar extinction.
机译:导致整个银河系中广泛存在结晶硅酸盐的过程以及被认为是造成银河漫射背景下红色发射扩展的原因的硅纳米粒子的起源,仍远未弄清楚。分子天文学中最富氧的物质之一是SiO。据推测,硅酸盐的形成可能是通过这些分子种类的团聚而进行的。然而,尚无研究揭示其微观机制。我们采用了一种协同方法,结合了分子束实验和第一性原理理论计算,证明了从SiO到Si02的通道是通过SinOm团簇的逐渐富氧而进行的,最小的级联涉及中间产物Si203,S304,Si405,Si506 。我们还证明,随着SiO分子聚集在一起,化学作用使团聚体朝着构型移动,以使中心核是纯Sin簇,而外壳是SiO2分子。最高占据分子轨道与最低未占据分子轨道之间的间隙范围为0.84至3.84 eV,因此可有助于观察到扩展的红色发射和蓝色发光。这些发现是天体物理学中普遍感兴趣的,但对于星际灭绝的基本理解也至关重要。

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    Clayborne Peneé Armaize;

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  • 年度 2006
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