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Growth of Ag nanometre-sized particles in solution: molecular dynamics simulations

机译:Ag纳米级粒子在溶液中的生长:分子动力学模拟

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This work focuses on the growth of nanometre-sized Ag clusters in solution. Molecular dynamics simulations have been employed to gain the necessary detail on the dynamics of solute species and to study the mechanistic features of the processes governing the association of solute atoms in aggregates. Supersaturated liquid solutions of Ag in tetrachloromethane have been considered. A systematic variation of the concentration of Ag atoms in solution permitted us to show the different mechanistic scenarios responsible for the growth processes of solid Ag clusters. It is shown that such processes are limited by the thermal diffusion of solute in the solution bulk at relatively low supersaturation degrees, whereas the growth is limited by interfacial effects at relatively high supersaturation degrees.
机译:这项工作的重点是溶液中纳米级Ag团簇的生长。分子动力学模拟已被用来获得关于溶质物种动力学的必要细节,并研究了控制聚集体中溶质原子缔合过程的力学特征。已经考虑了Ag在四氯甲烷中的过饱和液体溶液。溶液中Ag原子浓度的系统变化使我们能够显示出负责固体Ag团簇生长过程的不同机理。结果表明,这样的过程受到溶质在较低的过饱和度下在溶液本体中的热扩散的限制,而生长受到相对较高的过饱和度的界面效应的限制。

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