Milek T, Zahn D (2014)
Publication Type: Journal article
Publication year: 2014
Book Volume: 14
Pages Range: 4913-4917
Journal Issue: 8
DOI: 10.1021/nl502503t
The association of Ag+ ions and the early stage of Ag nanoparticle nucleation are investigated from molecular dynamics simulations. Combining special techniques for tackling crystal nucleation from solution with efficient approaches to model redox-reactions, we unravel the structural evolution of forming silver nanoparticles as a function of the redox-potential in the solution. Within a range of only 1 eV, the redox-potential is demonstrated to have a drastic effect on both the inner structure and the overall shape of the forming particles. On the basis of our simulations we identify surface charge and its distribution as an atomic scale mechanism that accounts for creating/avoiding 5-fold coordination polyhedra and thus the degree of (multiple)-twinning in silver nanoparticles
APA:
Milek, T., & Zahn, D. (2014). Molecular Simulation of Ag Nanoparticle Nucleation from Solution: Redox-Reactions Direct the Evolution of Shape and Structure. Nano Letters, 14(8), 4913-4917. https://dx.doi.org/10.1021/nl502503t
MLA:
Milek, Theodor, and Dirk Zahn. "Molecular Simulation of Ag Nanoparticle Nucleation from Solution: Redox-Reactions Direct the Evolution of Shape and Structure." Nano Letters 14.8 (2014): 4913-4917.
BibTeX: Download