Geometric structure and temperature effects on the coalescence of Ag-Pt nanoparticles
Source abstract
Abstract
The coalescence of Ag and Pt nanoparticles was performed by molecular dynamics simulations. In the first case, we investigate the temperature effect on the coalescence of Ag and Pt nanoparticles with same geometric structure and a truncated octahedron (TO) of 140 Ag atoms (Ag140TO\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${Ag}140<^>{TO}$$\end{document}) collides with a TO of 140 Pt atoms (Pt140TO\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${Pt}140<^>{TO}$$\end{document}) and an icosahedral (Ih) of 147 Ag atoms (Ag147Ih\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${Ag}147<^>{Ih}$$\end{document}) collides with an Ih of 147 Pt atoms (Pt147Ih\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${Pt}147<^>{Ih}$$\end{document}). Then, we consider the coalescence of Ag and Pt nanoparticles with different geometric structures and Ag140TO\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${Ag}140<^>{TO}$$\end{document} collides with Pt147Ih\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${Pt}147<^>{Ih}$$\end{document} and Ag147Ih\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${Ag}147<^>{Ih}$$\end{document} collides with Pt140TO\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${Pt}140<^>{TO}$$\end{document}. In order to underline the role of temperature in the coalescence process, it is simulated at five different temperatures (400, 450, 500, 550, and 600 K) and we analyze structural and chemical ordering changes using some descriptors such as radius of gyration and common neighbor analysis (CNA) for all systems considered.
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Research context
OpenAlex topics: nanoparticles nucleation surface interactions · Advanced Chemical Physics Studies · Laser-Ablation Synthesis of Nanoparticles
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