| Title |
New approaches for security based on the properties of nanodiamonds / |
| Authors |
Tamulienė, Jelena ; Bekešienė, Svajonė ; Kubeček, Petr |
| DOI |
10.46354/i3m.2021.dhss.005 |
| ISBN |
9788885741638 |
| Full Text |
|
| Is Part of |
11th International defense and homeland security simulation workshop; 18th International multidisciplinary modeling & simulation multiconference, 15-17 September 2021: virtual event.. 2021. p. 35-39.. ISSN 2724-0363. ISBN 9788885741638 |
| Keywords [eng] |
Nanodimonds ; Substituents ; Magnetic susceptibility ; Density functional approach B3LYP/6-31G |
| Abstract [eng] |
The study has been performed to exhibit the magnetic properties of the hydrogenated nanodimond with nitrogen defect. The results obtained allows us to gain evidence that viruses-sensor employing nanodiamond with paramagnetic centre could be created. The Becke’s three-parameter hybrid functional, applying the non-local correlation provided by Lee, Yang, and Parr method with the 6-31G basis was approached. We found that the above compound substituted by banzoic acid possesses unpaired electrons and their magnetic properties are electric field depended. The possibility to create a biosensor employing nanodiamond with paramagnetic centre is foreseen. |
| Published |
2021 |
| Type |
Conference paper |
| Language |
English |
| Publication date |
2021 |
| CC license |
|
