TY - JOUR
T1 - Odd-even effects of electronic transport in carbon-chain-based molecular devices
AU - Qiu, M.
AU - Liew, K. M.
PY - 2012/5/31
Y1 - 2012/5/31
N2 - Electronic transport properties of two Au electrodes are examined on the basis of carbon chains with different numbers of carbon atoms, capped with two end groups NO 2 and NH 2, connected to their surfaces. The first-principles analysis of the microscopic nature reveals that their I-V characteristics and rectifying behaviors show obvious odd-even effects, namely, different bond patterns for even- and odd-numbered carbon atoms can obviously affect the rectifying ratio and directions, charge transfer, electronic transmission possibility, and evolutions of molecular orbitals. © 2012 American Chemical Society.
AB - Electronic transport properties of two Au electrodes are examined on the basis of carbon chains with different numbers of carbon atoms, capped with two end groups NO 2 and NH 2, connected to their surfaces. The first-principles analysis of the microscopic nature reveals that their I-V characteristics and rectifying behaviors show obvious odd-even effects, namely, different bond patterns for even- and odd-numbered carbon atoms can obviously affect the rectifying ratio and directions, charge transfer, electronic transmission possibility, and evolutions of molecular orbitals. © 2012 American Chemical Society.
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U2 - 10.1021/jp300073t
DO - 10.1021/jp300073t
M3 - RGC 21 - Publication in refereed journal
SN - 1932-7447
VL - 116
SP - 11709
EP - 11713
JO - The Journal of Physical Chemistry C
JF - The Journal of Physical Chemistry C
IS - 21
ER -