Glycine nanostructures and domains in beta-glycine: computational modeling and PFM observations
authors Bystrov, VS; Seyedhosseini, E; Bdikin, IK; Kopyl, S; Kholkin, AL; Vasilev, SG; Zelenovskiy, PS; Vasileva, DS; Shur, VY
nationality International
journal FERROELECTRICS
author keywords Ferroelectrics; piezoelectrics; molecular modeling; glycine; nanocrystals; domain walls
keywords CRYSTAL STRUCTURE; FERROELECTRIC PROPERTIES; GAMMA-GLYCINE; NANOSCALE; POLARIZATION; BIOFERROELECTRICITY; POLYMORPHISM; SYMMETRY; PVDF
abstract In this work computational molecular modeling of -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 -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 -glycine domains are presented.
publisher TAYLOR & FRANCIS LTD
issn 0015-0193
year published 2016
volume 496
issue 1
beginning page 28
ending page 45
digital object identifier (doi) 10.1080/00150193.2016.1157435
web of science category Materials Science, Multidisciplinary; Physics, Condensed Matter
subject category Materials Science; Physics
unique article identifier WOS:000374630800004
  ciceco authors
  impact metrics
journal analysis (jcr 2019):
journal impact factor 0.669
5 year journal impact factor 0.718
category normalized journal impact factor percentile 9.089
dimensions (citation analysis):
altmetrics (social interaction):



 


Sponsors

1suponsers_list_ciceco.jpg