Dipolar molecules inside C-70: an electric field-driven room-temperature single-molecule switch

0467206 - ÚOCHB 2017 RIV GB eng J - Journal Article
Foroutan-Nejad, C. - Andrushchenko, Valery - Straka, Michal
Dipolar molecules inside C-70: an electric field-driven room-temperature single-molecule switch.
Physical Chemistry Chemical Physics. Roč. 18, č. 48 (2016), s. 32673-32677. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GA14-03564S
Institutional support: RVO:61388963
Keywords : room-temperature single-molecule switch * electric field * endohedral fullerene * density functional calculations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.123, year: 2016
http://pubs.rsc.org/en/content/articlepdf/2016/cp/c6cp06986j

We propose a two-state electric field-driven room-temperature single-molecule switch based on a dipolar molecule enclosed inside ellipsoidal fullerene C-70. We show that the two low-energy minima of the molecular dipole inside the C-70 cage provide distinguishable molecular states of the system that can be switched by application of an external electric field.
Permanent Link: http://hdl.handle.net/11104/0265317