On the Problem of Stability of Small Objects by the Example of Molecular Dynamics Models of Metal Nanoparticles and Nanosystems

IF 1.4 4区化学 Q4 CHEMISTRY, PHYSICAL Colloid Journal Pub Date : 2024-03-18 DOI:10.1134/s1061933x23601191

V. M. Samsonov, N. Yu. Sdobnyakov, A. Yu. Kolosov, S. S. Bogdanov, I. V. Talyzin, S. A. Vasilyev, K. G. Savina, V. V. Puytov, A. N. Bazulev

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Abstract

After briefly discussing the problem of stability/instability of dispersed systems in colloid chemistry, including ideas and concepts dating back to P.A. Rehbinder, the following classification has been proposed for instabilities of individual (free) nanoparticles: (1) instability with respect to the spontaneous disintegration into individual molecules (atoms) or smaller nanoclusters; (2) instability of shape; (3) instability of the integral structure of nanoparticles; (4) instability of the mesoscopic structure; (5) instability of physicochemical characteristics of nanoparticles; and (6) instability with respect to an external environment, including chemical instability, e.g., instability to oxidation. The problems concerning the stability of isomers of metal nanoclusters and of bimetallic core-shell nanostructures are considered as examples. The theoretical concepts of stability and instability have been illustrated by our molecular dynamics data on isomers of Au nanoclusters and mutually inverse (alternative) bimetallic Co@Au and Au@Co core-shell nanostructures, where the first element (before symbol @) corresponds to the central region (core) of a particle, while the second one refers to its shell.

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以金属纳米粒子和纳米系统的分子动力学模型为例，论小物体的稳定性问题

摘要在简要讨论了胶体化学中分散体系的稳定性/不稳定性问题（包括可追溯到 P.A. Rehbinder 的观点和概念）之后，对单个（自由）纳米粒子的不稳定性提出了以下分类：(1) 自发分解成单个分子（原子）或更小纳米团簇的不稳定性；(2) 形状的不稳定性；(3) 纳米粒子整体结构的不稳定性；(4) 中观结构的不稳定性；(5) 纳米粒子物理化学特性的不稳定性；(6) 与外部环境有关的不稳定性，包括化学不稳定性，如氧化不稳定性。本文以金属纳米团簇异构体和双金属核壳纳米结构的稳定性问题为例进行了探讨。我们关于金纳米团簇异构体和互反（替代）双金属 Co@Au 和 Au@Co 核壳纳米结构的分子动力学数据说明了稳定性和不稳定性的理论概念。

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来源期刊

Colloid Journal 化学-物理化学

CiteScore

2.20

自引率

18.20%

发文量

审稿时长

6-12 weeks

期刊介绍： Colloid Journal (Kolloidnyi Zhurnal) is the only journal in Russia that publishes the results of research in the area of chemical science dealing with the disperse state of matter and surface phenomena in disperse systems. The journal covers experimental and theoretical works on a great variety of colloid and surface phenomena: the structure and properties of interfaces; adsorption phenomena and structure of adsorption layers of surfactants; capillary phenomena; wetting films; wetting and spreading; and detergency. The formation of colloid systems, their molecular-kinetic and optical properties, surface forces, interaction of colloidal particles, stabilization, and criteria of stability loss of different disperse systems (lyosols and aerosols, suspensions, emulsions, foams, and micellar systems) are also topics of the journal. Colloid Journal also includes the phenomena of electro- and diffusiophoresis, electro- and thermoosmosis, and capillary and reverse osmosis, i.e., phenomena dealing with the existence of diffusion layers of molecules and ions in the vicinity of the interface.