Glycine nanostructures and domains in beta-glycine: computational modeling and PFM observations

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