| 论文标题 |
In-situ synthesized N-doped ZnO for enhanced CO2 sensing: experiments and DFT calculations |
| 作者 |
Yong Xia, Aifei Pan, Ya-Qiong Su, Sikai Zhao, Zhou Li, Adrian K Davey, Libo Zhao, Roya Maboudian, Carlo Carraro |
| 发表/完成日期 |
2022-01-04 |
| 期刊名称 |
Sensors and Actuators B: Chemical |
| 期卷 |
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| 相关文章 |
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| 论文简介 |
Chemiresistive CO2 sensing is attractive due to low cost and ease of chip-level integration. Our previous studies (Yong Xia, 2021) showed the well-developed ZnO material fabricated by in-situ annealing exhibited good CO2 sensing performance. Here, we have expanded on those studies, including CO2 cyclic tests under both dry air and N2 background whereby a much higher response to CO2 in N2 background was observed. Detailed density functional theory calculations were conducted to understand the behavior. The results indicated nitrogen doping is mainly responsible for the observed response. In the presence of pre-adsorbed O2, N-doped ZnO can no longer interact with CO2, which agrees well with the observation of higher response in N2 background. Furthermore, density of states analysis showed N sp2 hybridized orbital and N 2p orbital of the N dopant mixed with sp2 hybridized orbital of C atom and … |
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