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Simple Estimates of the Electron Transport Properties of Molecules
Author(s) -
Tomfohr John K.,
Sankey Otto F.
Publication year - 2002
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/1521-3951(200209)233:1<59::aid-pssb59>3.0.co;2-6
Subject(s) - simple (philosophy) , electron , statistical physics , molecule , electron transport chain , chemical physics , computer science , physics , chemistry , quantum mechanics , epistemology , philosophy , biochemistry
We discuss how the complex bandstructure describes tunneling within a molecule, and how it can be used to understand single molecule conduction. Simple estimates of the conduction properties of some molecules can be obtained with minimal (or no) computational effort. Examples considered include tunneling current through SiO 2 , transistor action of biphenyl‐dithiol, the effect of benzene ring rotation on tunneling through polyphenyl chains, and a “designed” molecule which – according to the form of its complex bandstructure – may function as a p‐channel transistor.