2D kinetic Monte–Carlo model of nanocrystal aggregation within a liquid matrix: Simulation and experimental study | Sciact - Система учета научной деятельности ИМ СО РАН

2D kinetic Monte–Carlo model of nanocrystal aggregation within a liquid matrix: Simulation and experimental study Научная публикация

Журнал

Physica A: Statistical Mechanics and its Applications
ISSN: 0378-4371

Вых. Данные

Год: 2024, Том: 641, Номер статьи : 129745, Страниц : 10 DOI: 10.1016/j.physa.2024.129745

Ключевые слова

Nanocrystals, Aggregation, Stochastic modeling, Langmuir–Blodgett matrix

Авторы

Svit K.A. ¹ , Zhuravlev K.S. ¹ , Kireev S.E. ² , Sabelfeld K.K. ^2,3

Организации

1	Rzhanov Institute of Semiconductor Physics, Siberian Branch of Russian Academy of Sciences, Lavrentiev str. 13, Novosibirsk, 630090, Russia
2	Institute of Computational Mathematics and Mathematical Geophysics, Russia
3	Sobolev Institute of Mathematics, Siberian Branch of Russian Academy of Sciences, Lavrentiev str. 6, Novosibirsk, 630090, Russia

Информация о финансировании (2)

1	Министерство науки и высшего образования РФ Математический центр в Академгородке (ИМ СО РАН)	075-15-2019-1613, 075-15-2022-281
2	Институт физики полупроводников им. А.В. Ржанова СО РАН	FWGW-2022-0005

A stochastic model of nanocrystals (NC) aggregation governing mobilities both of individual nanocrystals and its clusters is developed. The influence of the model parameters on the NC morphology is considered and an analysis is made of the applicability of the model to describe various real physical systems. The model is applied to simulate an aggregation of cadmium sulfide nanocrystals upon evaporation of the Langmuir–Blodgett matrix and as a result a comparison of simulations and experimental results is carried out. We give a comprehensive analysis of the patterns simulated by the model, and study an influence of the surrounding medium (solvent) on the aggregation processes. This system is a typical example from real life and is noteworthy in that the morphology of NC after evaporation of the matrix cannot be described exactly by a model based only on the motion of individual nanocrystals or by a cluster–cluster aggregation model.

Svit K.A. , Zhuravlev K.S. , Kireev S.E. , Sabelfeld K.K.
2D kinetic Monte–Carlo model of nanocrystal aggregation within a liquid matrix: Simulation and experimental study
Physica A: Statistical Mechanics and its Applications. 2024. V.641. 129745 :1-10. DOI: 10.1016/j.physa.2024.129745 WOS Scopus РИНЦ OpenAlex

Поступила в редакцию:	13 сент. 2023 г.
Опубликована в печати:	9 апр. 2024 г.
Опубликована online:	9 апр. 2024 г.

Web of science:	WOS:001229622400001
Scopus:	2-s2.0-85190096682
РИНЦ:	66943391
OpenAlex:	W4394618311

БД	Цитирований
OpenAlex	1
Scopus	1