Bystrov, V.S., Seyedhosseini, E. , Bdikin, I.K., Kopyl, S., Kholkin, A.L., Vasilev, S.G., Zelenovskiy, P.S., Vasileva, D.S. and Shur, V.Y. (2016) Glycine nanostructures and domains in beta-glycine: computational modeling and PFM observations. Ferroelectrics, 496(1), pp. 28-45. (doi: 10.1080/00150193.2016.1157435)
Full text not currently available from Enlighten.
Abstract
In this work computational molecular modeling of β-glycine nanostructures is presented, using various approaches, mostly semi-empirical quantum approximation PM3 type in HyperChem software in restricted Hartree-Fock calculations. The main aims of present studies focus on the molecular modeling for the β-glycine domains and domain walls formation and interaction. Obtained results are presented in visual 3D-models of the glycine domains and domain walls, compared with experimentally observed by PFM domain walls structures. Modeling is arranged with calculated values of physical data (polarization, etc.). Analysis of these new computed and corroborated PFM experimental data for β-glycine domains are presented.
| Item Type: | Articles |
|---|---|
| Status: | Published |
| Refereed: | Yes |
| Glasgow Author(s) Enlighten ID: | Seyed Hosseini, Dr Ensieh |
| Authors: | Bystrov, V.S., Seyedhosseini, E., Bdikin, I.K., Kopyl, S., Kholkin, A.L., Vasilev, S.G., Zelenovskiy, P.S., Vasileva, D.S., and Shur, V.Y. |
| College/School: | College of Science and Engineering > School of Engineering > Electronics and Nanoscale Engineering |
| Journal Name: | Ferroelectrics |
| Publisher: | Taylor & Francis |
| ISSN: | 0015-0193 |
| ISSN (Online): | 1563-5112 |
| Published Online: | 15 April 2016 |
University Staff: Request a correction | Enlighten Editors: Update this record
Altmetric
Altmetric