2023
DOI: 10.1021/acs.jpcb.3c04432
|View full text |Cite
|
Sign up to set email alerts
|

Investigating Solvent-Induced Aggregation in Edge-Functionalized Layered Silicates via All-Atom Molecular Dynamics Simulations

Eric H. Hill

Abstract: Molecular dynamics simulations can provide the means to visualize and understand the role of intermolecular interactions in the mechanisms involved in molecular aggregation. Along these lines, simulations can allow the study of how surface chemical modifications can influence nanomaterial assembly at the molecular level. Layered silicate clays have been of significant interest for some time, particularly with regard to their use in organic/inorganic nanocomposites. However, despite numerous reports on the cova… Show more

Help me understand this report
View preprint versions

Search citation statements

Order By: Relevance

Paper Sections

Select...
1

Citation Types

0
1
0

Year Published

2024
2024
2024
2024

Publication Types

Select...
3

Relationship

1
2

Authors

Journals

citations
Cited by 3 publications
(1 citation statement)
references
References 69 publications
0
1
0
Order By: Relevance
“…The use of 2D material templates with well-defined face vs. edge surface chemistry can also allow greater control over synthesis at such interfaces. [307][308][309][310][311][312][313][314][315] Surfactant pillaring, where the formation of ordered stacks of 2D materials occurs through surfactant intercalation, can provide a favorable environment in the interlayer space for the precursors of different inorganics (Section 5.2). Our group has utilized this approach in particular to realize a family of colloidally synthesized layered 2D heterostructures (Section 6.2), showing the potential of this method.…”
Section: Outlook and Perspectivesmentioning
confidence: 99%
“…The use of 2D material templates with well-defined face vs. edge surface chemistry can also allow greater control over synthesis at such interfaces. [307][308][309][310][311][312][313][314][315] Surfactant pillaring, where the formation of ordered stacks of 2D materials occurs through surfactant intercalation, can provide a favorable environment in the interlayer space for the precursors of different inorganics (Section 5.2). Our group has utilized this approach in particular to realize a family of colloidally synthesized layered 2D heterostructures (Section 6.2), showing the potential of this method.…”
Section: Outlook and Perspectivesmentioning
confidence: 99%