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 - The electronic transport properties of N@C-60@(n, m) carbon nanotube peapods
AU - Bailey, Steven W. D.
AU - Lambert, Colin J.
PY - 2007/10
Y1 - 2007/10
N2 - In this paper we use ab initio density functional theory (DFT) to calculate the electronic transport properties of the endohedral fullerene N@C-60 encapsulated within (n, m) single-waited carbon nanotubes (SWNTs) to produce carbon nanotube peapods (CNPs). By comparing the electronic properties Of C-60@(n, m) and N@C-60@(n, m) CNPs, we demonstrate that due to the inertness of the inner surface of the C-60 cage, the nitrogen is very well protected from its environment.
AB - In this paper we use ab initio density functional theory (DFT) to calculate the electronic transport properties of the endohedral fullerene N@C-60 encapsulated within (n, m) single-waited carbon nanotubes (SWNTs) to produce carbon nanotube peapods (CNPs). By comparing the electronic properties Of C-60@(n, m) and N@C-60@(n, m) CNPs, we demonstrate that due to the inertness of the inner surface of the C-60 cage, the nitrogen is very well protected from its environment.
KW - SMEAGOL
KW - Carbon nanotube peapods
KW - Endohedral fullerene
U2 - 10.1016/j.physe.2007.05.020
DO - 10.1016/j.physe.2007.05.020
M3 - Journal article
VL - 40
SP - 99
EP - 102
JO - Physica E: Low-dimensional Systems and Nanostructures
JF - Physica E: Low-dimensional Systems and Nanostructures
SN - 1386-9477
IS - 1
ER -