Published December 1, 2017
| Version v1
Journal article
Adsorption of chemical species on nitrogen-doped [60]fullerene: tight-binding study
Creators
- 1. National Research Nuclear University "MEPhI (Russian Federation)
Description
We present a theoretical study of the adsorption of common species COOH, H and OH on nitrogen-doped C60 cage. We find that these radicals tend to bind with the carbon atoms, nearest to the nitrogen defect. Structural and energetical characteristics of functionalized cages are studied in detail. The reactivity of the fullerene is found to be some more than that of graphene. (paper)
Availability note (English)
Available from http://dx.doi.org/10.1088/1742-6596/938/1/012068Additional details
Identifiers
Publishing Information
- Journal Title
- Journal of Physics. Conference Series (Online)
- Journal Volume
- 938
- Journal Issue
- 1
- Journal Page Range
- [6 p.]
- ISSN
- 1742-6596
Conference
- Title
- 17. Workshop on High Energy Spin Physics
- Acronym
- DSPIN-2017
- Dates
- 11-15 Sep 2017
- Place
- Dubna (Russian Federation)
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 52066164
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- ADSORPTION; DEFECTS; DOPED MATERIALS; FULLERENES; GRAPHENE; NITROGEN; REACTIVITY
- Descriptors DEC
- CARBON; ELEMENTS; MATERIALS; NONMETALS; SORPTION