Abstract
The electronic properties of the 7-1 structure of a gold nanowire, which is the simplest structure among possible helical multi-shell nanowires, are examined. Density of states (DOS) and crystal orbital overlap population (COOP) analyzes at the extended Hückel level of theory show that the contribution of the inner gold-atom row to the electric conduction and structural strength is small. The outer tube is responsible for both the structural stability and the electric conduction. The gold atoms of the nanowire are charged when the nanowire has an inner row. There is a wavy negative charge distribution in the outer tube when the outer tube has a helical structure.
| Original language | English |
|---|---|
| Pages (from-to) | 367-371 |
| Number of pages | 5 |
| Journal | Chemical Physics Letters |
| Volume | 345 |
| Issue number | 5-6 |
| DOIs | |
| Publication status | Published - Sep 21 2001 |
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All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry
Cite this
Electronic structures of gold nanowires. / Hasegawa, Akira; Yoshizawa, Kazunari; Hirao, Kazuyuki.
In: Chemical Physics Letters, Vol. 345, No. 5-6, 21.09.2001, p. 367-371.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Electronic structures of gold nanowires
AU - Hasegawa, Akira
AU - Yoshizawa, Kazunari
AU - Hirao, Kazuyuki
PY - 2001/9/21
Y1 - 2001/9/21
N2 - The electronic properties of the 7-1 structure of a gold nanowire, which is the simplest structure among possible helical multi-shell nanowires, are examined. Density of states (DOS) and crystal orbital overlap population (COOP) analyzes at the extended Hückel level of theory show that the contribution of the inner gold-atom row to the electric conduction and structural strength is small. The outer tube is responsible for both the structural stability and the electric conduction. The gold atoms of the nanowire are charged when the nanowire has an inner row. There is a wavy negative charge distribution in the outer tube when the outer tube has a helical structure.
AB - The electronic properties of the 7-1 structure of a gold nanowire, which is the simplest structure among possible helical multi-shell nanowires, are examined. Density of states (DOS) and crystal orbital overlap population (COOP) analyzes at the extended Hückel level of theory show that the contribution of the inner gold-atom row to the electric conduction and structural strength is small. The outer tube is responsible for both the structural stability and the electric conduction. The gold atoms of the nanowire are charged when the nanowire has an inner row. There is a wavy negative charge distribution in the outer tube when the outer tube has a helical structure.
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U2 - 10.1016/S0009-2614(01)00900-9
DO - 10.1016/S0009-2614(01)00900-9
M3 - Article
AN - SCOPUS:0041874643
VL - 345
SP - 367
EP - 371
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 5-6
ER -