On the structure of nanoparticle clusters: effects of long-range interactions

IF 2.9 3区 化学 Q3 CHEMISTRY, PHYSICAL Physical Chemistry Chemical Physics Pub Date : 2025-01-21 DOI:10.1039/d4cp04235b
Rens Kamphorst, Maximilian F. Theisen, Ankur D. Bordoloi, Samir Salameh, Gabrie M. H. Meesters, J. Ruud van Ommen
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Abstract

The fractal structure of aggregates consisting of primary nanoparticles naturally arises during their synthesis. While typically considered to be a fully stochastic process, we suspect long-range interactions, in particular van der Waals forces, to induce an active pull on particles, altering the clustering process. Using an off-grid 3D model, we show that an active pull decreases the density and fractal dimension of formed clusters. These findings could not be reproduced by 2D models, which underestimate screening effects. Additionally, we determined the range within which van der Waals forces dominate the aggregation process.

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纳米粒子团簇的结构:长程相互作用的影响
由原生纳米颗粒组成的聚集体在其合成过程中自然产生了分形结构。虽然通常认为这是一个完全随机的过程,但我们怀疑远程相互作用,特别是范德华力,会对粒子产生积极的拉力,从而改变聚类过程。利用离网三维模型,我们发现主动牵引力降低了形成的簇的密度和分形维数。这些发现不能被2D模型再现,因为2D模型低估了筛选的效果。此外,我们确定了范德华力主导聚合过程的范围。
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来源期刊
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics 化学-物理:原子、分子和化学物理
CiteScore
5.50
自引率
9.10%
发文量
2675
审稿时长
2.0 months
期刊介绍: Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.
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