Morphological sensitivity of silver nanoparticles to the environment

Tarrat, Nathalie; Loffreda, David

doi:10.1039/d2en01129h

Environ. Sci.: Nano

2023

DOI: 10.1039/d2en01129h

|View full text |Cite

Morphological sensitivity of silver nanoparticles to the environment

Nathalie Tarrat

David Loffreda

Abstract: Silver nanoparticles have been modeled by density functional theory calculations and ab initio molecular dynamics simulations to explore their stability in air at room temperature. The role of contaminants is...

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2024

Publication Types

Select...

Article1

Relationship

Self Cite0

Independent1

Authors

Journals

Cited by 1 publication

References 55 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

Harvesting nucleating structures in nanoparticle crystallization: The example of gold, silver, and iron

France-Lanord,

Menon,

Lam

2024

The Journal of Chemical Physics

View full text Add to dashboard Cite

The thermodynamics and kinetics of nanoparticle crystallization, as opposed to bulk phases, may be influenced by surface and size effects. We investigate the importance of such factors in the crystallization process of gold, silver, and iron nanodroplets using numerical simulations in the form of molecular dynamics combined with path sampling. This modeling strategy is targeted at obtaining representative ensembles of structures located at the transition state of the crystallization process. A structural analysis of the transition state ensembles reveals that both the average size and location of the critical nucleation cluster are influenced by surface and nanoscale size effects. Furthermore, we also show that transition state structures in smaller nanodroplets exhibit a more ordered liquid phase, and differentiating between a well-ordered critical cluster and its surrounding disordered liquid phase becomes less evident. All in all, these findings demonstrate that crystallization mechanisms in nanoparticles go beyond the assumptions of classical nucleation theory.

show abstract

Harvesting nucleating structures in nanoparticle crystallization: The example of gold, silver, and iron

France-Lanord,

Menon,

Lam

2024

The Journal of Chemical Physics

View full text Add to dashboard Cite

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

hi@scite.ai

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Morphological sensitivity of silver nanoparticles to the environment

Abstract: Silver nanoparticles have been modeled by density functional theory calculations and ab initio molecular dynamics simulations to explore their stability in air at room temperature. The role of contaminants is...

Cited by 1 publication

References 55 publications

Harvesting nucleating structures in nanoparticle crystallization: The example of gold, silver, and iron

Harvesting nucleating structures in nanoparticle crystallization: The example of gold, silver, and iron

Contact Info

Product

Resources

About