The multiradical character of one- and two-dimensional graphene nanoribbons.
When is an acene stable? The pronounced multiradical character of graphene nanoribbons of different size and shape was investigated with high-level multireference methods. Quantitative information based on the number of effectively unpaired electrons leads to specific estimates of the chemical stability of graphene nanostructures.
Institute for Theoretical Chemistry, University of Vienna, Waehringerstrasse 17, 1090 Vienna, Austria.
Felix
F
Plasser
Hasan
H
Pašalić
Martin H
MH
Gerzabek
Florian
F
Libisch
Rafael
R
Reiter
Joachim
J
Burgdörfer
Thomas
T
Müller
Ron
R
Shepard
Hans
H
Lischka