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Modeling and simulation of electron transport at the nanoscale: illustrations in low-dimensional carbon nanostructures...

by V. Meunier, Bobby G Sumpter, Eduardo Costa Girao
Publication Type
Book Chapter
Publication Date
Page Number
123
Publisher Name
Springer
Publisher Location
New York, New Jersey, United States of America

This chapter showcases a few selected illustrations of various manifestations
of nanoscale and molecular electronic effects as investigated by quantum
mechanical methods. The examples include results demonstrating (1) how graphitic
nanoribbons can be assembled into multi-terminal networks and the influence on
electron transport; (2) how the position of a single embedded molecule can be modified
to change the overall conduction state of a nanowire; (3) how quantum chemical
modeling can lead to the design of electrodes with enhanced interface for molecular
coupling; (4) how carbon nanotubes can be assembled into complex covalent arrays
and how these can be obtained experimentally; (5) how quantum interference
can be understood as emerging from the presence of multiple level of confinements
in carbon nanorings; and (6) how new functionality can emerge at the nanoscale
due the the interplay of magnetic, electronic, and structural properties of individual
graphitic nanoribbons assembled into wiggly-like structures.