ProQuest
Abstract/Details

Guiding Self-Assembly of Functionalized Nanoparticles by Computational Modeling of Effective Interactions

Shah, Vijay Dipak.   North Dakota State University ProQuest Dissertations Publishing,  2018. 10790384.

Abstract (summary)

Nanoparticles have attracted much attention because of their unusual physical properties, which allow them to be used in many practical applications. The self-assembly of nanocrystals into crystalline arrays can be facilitated by functionalizing the nanocrystals with ligand brushes, allowing for bulk dispersions to be sterically stabilized against aggregation. Studies have been conducted to study the clustering of gold nanoparticle dispersions. To study the self-assembly of gold nanoparticle dispersions based on nanocrystal volume fraction and ligand coverage, we performed Monte Carlo simulations and characterized the ability of the nanoparticle dispersions to self-assemble into crystalline arrays. Experiments have shown that silver nanoparticles can self- assemble into equilibrium superlattices in the presence of free ligands. To better understand the role of adsorbed and free ligands in self-assembly, we extracted the effective pressure between two flat, ligated plates through molecular dynamics simulations. Our results are compared to the theoretical prediction and discrepancies are discussed.

Indexing (details)


Subject
Physics;
Condensed matter physics
Classification
0605: Physics
0611: Condensed matter physics
Identifier / keyword
Pure sciences
Title
Guiding Self-Assembly of Functionalized Nanoparticles by Computational Modeling of Effective Interactions
Author
Shah, Vijay Dipak  VIAFID ORCID Logo 
Number of pages
118
Degree date
2018
School code
0157
Source
MAI 57/06M(E), Masters Abstracts International
Place of publication
Ann Arbor
Country of publication
United States
ISBN
978-0-355-98794-2
Advisor
Denton, Alan R.
Committee member
Hobbie, Erik; Kilin, Dmitri; Wagner, Alexander
University/institution
North Dakota State University
Department
Physics
University location
United States -- North Dakota
Degree
M.S.
Source type
Dissertation or Thesis
Language
English
Document type
Dissertation/Thesis
Dissertation/thesis number
10790384
ProQuest document ID
2050158438
Copyright
Database copyright ProQuest LLC; ProQuest does not claim copyright in the individual underlying works.
Document URL
https://www.proquest.com/pqdtglobal/docview/2050158438/3D2682B3624B49D6PQ