Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
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TY - JOUR
T1 - Control of electron transport through Fano resonances in molecular wires.
AU - Papadopoulos, T. A.
AU - Grace, I. M.
AU - Lambert, C. J.
PY - 2006/11/8
Y1 - 2006/11/8
N2 - Using a first principles approach, we study the electron transport properties of two molecules of length 2.5 nm, which are the building blocks for a new class of molecular wires containing fluorenone units. We show that the presence of side groups attached to these units leads to Fano resonances close to the Fermi energy. As a consequence electron transport through the molecule can be controlled either by chemically modifying the side group, or by changing the conformation of the side group. This sensitivity, which is not present in Breit-Wigner resonances, opens up new possibilities for novel single-molecule sensors.
AB - Using a first principles approach, we study the electron transport properties of two molecules of length 2.5 nm, which are the building blocks for a new class of molecular wires containing fluorenone units. We show that the presence of side groups attached to these units leads to Fano resonances close to the Fermi energy. As a consequence electron transport through the molecule can be controlled either by chemically modifying the side group, or by changing the conformation of the side group. This sensitivity, which is not present in Breit-Wigner resonances, opens up new possibilities for novel single-molecule sensors.
KW - organic compounds
KW - electron spin polarisation
KW - ab initio calculations
KW - molecular configurations
KW - molecular electronics
U2 - 10.1103/PhysRevB.74.193306
DO - 10.1103/PhysRevB.74.193306
M3 - Journal article
VL - 74
SP - 193306
JO - Physical review B
JF - Physical review B
SN - 1098-0121
IS - 19
ER -