Wi Li Y., Yin G.P., Zhao J.W.
Harbin Institute of Technology, CN
Keywords: electronic structures, external electric field, molecular electronics
Theoretical investigations on the diblock molecule, thiophene-thiazole compound, have been carried out at Hartree-Fock (HF) level by considering the interaction from the external electric field (EF). It demonstrates the external EF modifies both the geometric and electronic structures. In particular, these features show strong EF direction dependence.
Journal: TechConnect Briefs
Volume: 1, Technical Proceedings of the 2007 NSTI Nanotechnology Conference and Trade Show, Volume 1
Published: May 20, 2007
Pages: 466 - 472
Industry sector: Advanced Materials & Manufacturing
Topic: Informatics, Modeling & Simulation
ISBN: 1-4200-6182-8