KJCKorea
Journal Central

@article{ART002399608},
author={Hao Cui and Xiaoxing Zhang and Qiang Yao and Yulong Miao and Ju Tang},
title={Rh-doped carbon nanotubes as a superior media for the adsorption of O2 and O3 molecules: a density functional theory study},
journal={Carbon Letters},
issn={1976-4251},
year={2018},
volume={28},
number={1},
pages={55-59}

TY - JOUR
AU - Hao Cui
AU - Xiaoxing Zhang
AU - Qiang Yao
AU - Yulong Miao
AU - Ju Tang
TI - Rh-doped carbon nanotubes as a superior media for the adsorption of O2 and O3 molecules: a density functional theory study
JO - Carbon Letters
PY - 2018
VL - 28
IS - 1
PB - Korean Carbon Society
SP - 55
EP - 59
SN - 1976-4251
AB - Transition-metal-embedded carbon nanotubes (CNTs) have been accepted as a novel type of sensing material due to the combined advantage of the transition metal, which possesses good catalytic behavior for gas interaction, and CNTs, with large effective surface areas that present good adsorption ability towards gas molecules. In this work, we simulate the adsorption of O2 and O3 onto Rh-doped CNT in an effort to understand the adsorbing behavior of such a surface. Results indicate that the proposed material presents good adsorbing ability and capacities for these two gases, especially O3 molecules, as a result of the relatively large conductivity changes. The frontier molecular orbital theory reveals that the conductivity of Rh-CNT would undergo a decrease after the adsorption of two such oxidizing gases due to the lower electron activity and density of this media. Our calculations are meaningful as they can supply experimentalists with potential sensing material prospects with which to exploit chemical sensors.
KW - Rh-doped carbon nanotubes;adsorption;density functional theory method
DO -
UR -
ER -

Hao Cui, Xiaoxing Zhang, Qiang Yao, Yulong Miao and Ju Tang. (2018). Rh-doped carbon nanotubes as a superior media for the adsorption of O2 and O3 molecules: a density functional theory study. Carbon Letters, 28(1), 55-59.

Hao Cui, Xiaoxing Zhang, Qiang Yao, Yulong Miao and Ju Tang. 2018, "Rh-doped carbon nanotubes as a superior media for the adsorption of O2 and O3 molecules: a density functional theory study", Carbon Letters, vol.28, no.1 pp.55-59.

Hao Cui, Xiaoxing Zhang, Qiang Yao, Yulong Miao, Ju Tang "Rh-doped carbon nanotubes as a superior media for the adsorption of O2 and O3 molecules: a density functional theory study" Carbon Letters 28.1 pp.55-59 (2018) : 55.

Hao Cui, Xiaoxing Zhang, Qiang Yao, Yulong Miao, Ju Tang. Rh-doped carbon nanotubes as a superior media for the adsorption of O2 and O3 molecules: a density functional theory study. 2018; 28(1), 55-59.

Hao Cui, Xiaoxing Zhang, Qiang Yao, Yulong Miao and Ju Tang. "Rh-doped carbon nanotubes as a superior media for the adsorption of O2 and O3 molecules: a density functional theory study" Carbon Letters 28, no.1 (2018) : 55-59.

Hao Cui; Xiaoxing Zhang; Qiang Yao; Yulong Miao; Ju Tang. Rh-doped carbon nanotubes as a superior media for the adsorption of O2 and O3 molecules: a density functional theory study. Carbon Letters, 28(1), 55-59.

Hao Cui; Xiaoxing Zhang; Qiang Yao; Yulong Miao; Ju Tang. Rh-doped carbon nanotubes as a superior media for the adsorption of O2 and O3 molecules: a density functional theory study. Carbon Letters. 2018; 28(1) 55-59.

Hao Cui, Xiaoxing Zhang, Qiang Yao, Yulong Miao, Ju Tang. Rh-doped carbon nanotubes as a superior media for the adsorption of O2 and O3 molecules: a density functional theory study. 2018; 28(1), 55-59.

Hao Cui, Xiaoxing Zhang, Qiang Yao, Yulong Miao and Ju Tang. "Rh-doped carbon nanotubes as a superior media for the adsorption of O2 and O3 molecules: a density functional theory study" Carbon Letters 28, no.1 (2018) : 55-59.