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@article{ART002694970},
author={Zhang Xuanning and Wang Yongjie and Wang Zhenhua and Ma Shouxiao},
title={Small gas adsorption on Co–N4 porphyrin-like CNT for sensor exploitation: a first-principles study},
journal={Carbon Letters},
issn={1976-4251},
year={2020},
volume={30},
number={2},
pages={177-187},
doi={10.1007/s42823-019-00083-3}

TY - JOUR
AU - Zhang Xuanning
AU - Wang Yongjie
AU - Wang Zhenhua
AU - Ma Shouxiao
TI - Small gas adsorption on Co–N4 porphyrin-like CNT for sensor exploitation: a first-principles study
JO - Carbon Letters
PY - 2020
VL - 30
IS - 2
PB - Korean Carbon Society
SP - 177
EP - 187
SN - 1976-4251
AB - Using frst-principles theory, we investigated the adsorption performance of CoN4-CNT towards six small gases including NO, O2, H2, H2S, NH3, and CH4, for exploiting its potential application for chemical gas sensors. The frontier molecular orbital theory was conducted to help understand the conductivity change of the proposed material at the presence of gas molecules. The desorption behavior of gas molecules from CoN4-CNT surface at ambient temperature was analyzed as well to determine its suitability for sensing application. Results show that CoN4-CNT is a promising material for O2 and NH3 sensing due to their desirable adsorption and desorption behaviors while not appropriate for sensing NO due to the poor desorption ability and for sensing CH4 and H2 given the poor adsorption behavior. Our calculation would provide a frst insight into the CoN4-embedded efect on the structural and electronic properties of single-walled CNT, and shed light on the application of CoN4-CNT towards sensing of small gases.
KW - CoN4-CNT;adsorption;and desorption · First-principles theory
DO - 10.1007/s42823-019-00083-3
ER -

Zhang Xuanning, Wang Yongjie, Wang Zhenhua and Ma Shouxiao. (2020). Small gas adsorption on Co–N4 porphyrin-like CNT for sensor exploitation: a first-principles study. Carbon Letters, 30(2), 177-187.

Zhang Xuanning, Wang Yongjie, Wang Zhenhua and Ma Shouxiao. 2020, "Small gas adsorption on Co–N4 porphyrin-like CNT for sensor exploitation: a first-principles study", Carbon Letters, vol.30, no.2 pp.177-187. Available from: doi:10.1007/s42823-019-00083-3

Zhang Xuanning, Wang Yongjie, Wang Zhenhua, Ma Shouxiao "Small gas adsorption on Co–N4 porphyrin-like CNT for sensor exploitation: a first-principles study" Carbon Letters 30.2 pp.177-187 (2020) : 177.

Zhang Xuanning, Wang Yongjie, Wang Zhenhua, Ma Shouxiao. Small gas adsorption on Co–N4 porphyrin-like CNT for sensor exploitation: a first-principles study. 2020; 30(2), 177-187. Available from: doi:10.1007/s42823-019-00083-3

Zhang Xuanning, Wang Yongjie, Wang Zhenhua and Ma Shouxiao. "Small gas adsorption on Co–N4 porphyrin-like CNT for sensor exploitation: a first-principles study" Carbon Letters 30, no.2 (2020) : 177-187.doi: 10.1007/s42823-019-00083-3

Zhang Xuanning; Wang Yongjie; Wang Zhenhua; Ma Shouxiao. Small gas adsorption on Co–N4 porphyrin-like CNT for sensor exploitation: a first-principles study. Carbon Letters, 30(2), 177-187. doi: 10.1007/s42823-019-00083-3

Zhang Xuanning; Wang Yongjie; Wang Zhenhua; Ma Shouxiao. Small gas adsorption on Co–N4 porphyrin-like CNT for sensor exploitation: a first-principles study. Carbon Letters. 2020; 30(2) 177-187. doi: 10.1007/s42823-019-00083-3

Zhang Xuanning, Wang Yongjie, Wang Zhenhua, Ma Shouxiao. Small gas adsorption on Co–N4 porphyrin-like CNT for sensor exploitation: a first-principles study. 2020; 30(2), 177-187. Available from: doi:10.1007/s42823-019-00083-3

Zhang Xuanning, Wang Yongjie, Wang Zhenhua and Ma Shouxiao. "Small gas adsorption on Co–N4 porphyrin-like CNT for sensor exploitation: a first-principles study" Carbon Letters 30, no.2 (2020) : 177-187.doi: 10.1007/s42823-019-00083-3