KJCKorea
Journal Central

@article{ART002343488},
author={Hao Cui and Xiaoxing Zhang and Yongjian Zhou and Jun Zhang},
title={Geometric structure and electronic behavior of Rh decorating effect on zigzag CNTs (n=7-12): A DFT study},
journal={Carbon Letters},
issn={1976-4251},
year={2018},
volume={26},
number={1},
pages={61-65}

TY - JOUR
AU - Hao Cui
AU - Xiaoxing Zhang
AU - Yongjian Zhou
AU - Jun Zhang
TI - Geometric structure and electronic behavior of Rh decorating effect on zigzag CNTs (n=7-12): A DFT study
JO - Carbon Letters
PY - 2018
VL - 26
IS - 1
PB - Korean Carbon Society
SP - 61
EP - 65
SN - 1976-4251
AB - Comprehensive calculations of the Rh decoration effect on zigzag CNTs with n ranging from 7 to 12 were conducted in this work to understand the effect of Rh doping on geometric structures and electronic behaviors upon metallic and semiconducting CNTs. The obtained results indicated that Rh dopant not only contributes to the deformation of C-C bonds on the sidewall of CNTs, but also transforms the electron distribution of related complexes, thereby leading to a remarkable increase of the conductivity of pure CNTs given the emerged novel state within the energy gap for metallic CNTs and the narrowed energy gap for semiconducting CNTs. Our calculations will be meaningful for exploiting novel CNT-based materials with better sensitivity to electrons and higher electrical conductivity compared with pure CNTs.
KW - Rh dopant;CNT;DFT
DO -
UR -
ER -

Hao Cui, Xiaoxing Zhang, Yongjian Zhou and Jun Zhang. (2018). Geometric structure and electronic behavior of Rh decorating effect on zigzag CNTs (n=7-12): A DFT study. Carbon Letters, 26(1), 61-65.

Hao Cui, Xiaoxing Zhang, Yongjian Zhou and Jun Zhang. 2018, "Geometric structure and electronic behavior of Rh decorating effect on zigzag CNTs (n=7-12): A DFT study", Carbon Letters, vol.26, no.1 pp.61-65.

Hao Cui, Xiaoxing Zhang, Yongjian Zhou, Jun Zhang "Geometric structure and electronic behavior of Rh decorating effect on zigzag CNTs (n=7-12): A DFT study" Carbon Letters 26.1 pp.61-65 (2018) : 61.

Hao Cui, Xiaoxing Zhang, Yongjian Zhou, Jun Zhang. Geometric structure and electronic behavior of Rh decorating effect on zigzag CNTs (n=7-12): A DFT study. 2018; 26(1), 61-65.

Hao Cui, Xiaoxing Zhang, Yongjian Zhou and Jun Zhang. "Geometric structure and electronic behavior of Rh decorating effect on zigzag CNTs (n=7-12): A DFT study" Carbon Letters 26, no.1 (2018) : 61-65.

Hao Cui; Xiaoxing Zhang; Yongjian Zhou; Jun Zhang. Geometric structure and electronic behavior of Rh decorating effect on zigzag CNTs (n=7-12): A DFT study. Carbon Letters, 26(1), 61-65.

Hao Cui; Xiaoxing Zhang; Yongjian Zhou; Jun Zhang. Geometric structure and electronic behavior of Rh decorating effect on zigzag CNTs (n=7-12): A DFT study. Carbon Letters. 2018; 26(1) 61-65.

Hao Cui, Xiaoxing Zhang, Yongjian Zhou, Jun Zhang. Geometric structure and electronic behavior of Rh decorating effect on zigzag CNTs (n=7-12): A DFT study. 2018; 26(1), 61-65.

Hao Cui, Xiaoxing Zhang, Yongjian Zhou and Jun Zhang. "Geometric structure and electronic behavior of Rh decorating effect on zigzag CNTs (n=7-12): A DFT study" Carbon Letters 26, no.1 (2018) : 61-65.