Structural simulations of nanomaterials self-assembled from ionic macrocycles.
- University of New Mexico, Albuquerque, NM
Recent research at Sandia has discovered a new class of organic binary ionic solids with tunable optical, electronic, and photochemical properties. These nanomaterials, consisting of a novel class of organic binary ionic solids, are currently being developed at Sandia for applications in batteries, supercapacitors, and solar energy technologies. They are composed of self-assembled oligomeric arrays of very large anions and large cations, but their crucial internal arrangement is thus far unknown. This report describes (a) the development of a relevant model of nonconvex particles decorated with ions interacting through short-ranged Yukawa potentials, and (b) the results of initial Monte Carlo simulations of the self-assembly binary ionic solids.
- Research Organization:
- Sandia National Laboratories
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC04-94AL85000
- OSTI ID:
- 1008138
- Report Number(s):
- SAND2010-7014
- Country of Publication:
- United States
- Language:
- English
Similar Records
Bioinspired synthesis and self-assembly of hybrid organic–inorganic nanomaterials
Computational Design of Self-Assembling Protein Nanomaterials with Atomic Level Accuracy