|
Accession number;04A0436011
|
| Title;Theoretical approaches for the quantum transport effects in molecular wires |
| Author;
TADA TOMOFUMI
(Kyushu Univ., JPN)
KONDO MASAKAZU
(Kyushu Univ., JPN)
YOSHIZAWA KAZUNARI
(Kyushu Univ., JPN)
|
Journal Title;Nippon Kagakkai Koen Yokoshu
|
Journal Code:S0493A
|
ISSN:0285-7626
|
|
VOL.84th;NO.1;PAGE.8(2004)
|
| Figure&Table&Reference;FIG.1, REF.5 |
| Pub. Country;Japan |
| Language;Japanese |
| Abstract;Quantum transport effects in molecular junctions composed of a nanosized molecule and two gold chains are studied on the basis of the Landauer model. Two rules for an effective quantum transport are found: (I) two carbon atoms connected with the gold chains should have large electronic populations in the highest occupied and the lowest unoccupied molecular orbitals, and (II) the product of the molecular orbital coefficients on the two atoms connected with the gold chains should be different in sign between the highest occupied and the lowest unoccupied molecular orbitals. (author abst.) |
|
|
|
Related Articles;
|
