Affiliation:
1. Department of Theoretical Chemistry, Institute of Chemical Sciences, Faculty of Chemistry, Maria Curie-Skłodowska University in Lublin, 20-031 Lublin, Poland
Abstract
We report the results of large-scale molecular dynamics simulations of adsorption nanoparticles on solid surfaces. The particles were modeled as stiff aggregates of spherical segments. Three types of particles were studied: rods, rectangles, and triangles built of the same number of segments. We show how the particle shape affects the adsorption, the structure of the surface layer, and the degree of the removal of particles from the solvent. The systems with different segment–segment and segment–surface interactions and different concentrations of particles were investigated. The ordered structures formed in adsorption monolayers were also analyzed. The results are consistent with experimental observations.
Reference49 articles.
1. Su, H., Hurd Price, C.A., Jing, L., Tian, Q., Liu, J., and Qian, K. (2019). Janus particles: Design, preparation, and biomedical applications. Mater. Today Bio, 4.
2. Research Advances in the Synthesis, Application, Assembly, and Calculation of Janus Materials;Duan;Ind. Eng. Chem. Res.,2021
3. Self-Assembly of Polymer Brush-Functionalized Inorganic Nanoparticles: From Hairy Balls to Smart Molecular Mimics;Moffitt;J. Phys. Chem. Lett.,2013
4. Gold nanoparticles with patterned surface monolayers for nanomedicine: Current perspectives;Pengo;Eur. Biophys. J.,2017
5. The Impact of Nanoscience on Heterogeneous Catalysis;Bell;Science,2003