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PdO-SnO纳米片乙醇气体传感器的实验与密度泛函理论模拟研究

Experimental and Density Functional Theory Simulation Research on PdO-SnO Nanosheet Ethanol Gas Sensors.

作者信息

Wu Hao, Zhang Jianwei, Zhu Huichao, Li Xiaogan, Liu Hongxu, Tang Zhenan, Yao Guanyu, Yu Jun

机构信息

School of Control Science and Engineering, Dalian University of Technology, Dalian 116024, China.

Key Lab of Liaoning for Integrated Circuits and Medical Electronic Systems, Dalian University of Technology, Dalian 116024, China.

出版信息

Sensors (Basel). 2024 Jul 31;24(15):4970. doi: 10.3390/s24154970.

DOI:10.3390/s24154970
PMID:39124017
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11314670/
Abstract

Pure SnO and 1 at.% PdO-SnO materials were prepared using a simple hydrothermal method. The micromorphology and element valence state of the material were characterized using XRD, SEM, TEM, and XPS methods. The SEM results showed that the prepared material had a two-dimensional nanosheet morphology, and the formation of PdO and SnO heterostructures was validated through TEM. Due to the influence of the heterojunction, in the XPS test, the energy spectrum peaks of Sn and O in PdO-SnO were shifted by 0.2 eV compared with SnO. The PdO-SnO sensor showed improved ethanol sensing performance compared to the pure SnO sensor, since it benefited from the large specific surface area of the nanosheet structure, the modulation effect of the PdO-SnO heterojunction on resistance, and the catalyst effect of PdO on the adsorption of oxygen. A DFT calculation study of the ethanol adsorption characteristics of the PdO-SnO surface was conducted to provide a detailed explanation of the gas-sensing mechanism. PdO was found to improve the reducibility of ethanol, enhance the adsorption of ethanol's methyl group, and increase the number of adsorption sites. A synergistic effect based on the continuous adsorption sites was also deduced.

摘要

采用简单的水热法制备了纯SnO和1原子%的PdO-SnO材料。使用XRD、SEM、TEM和XPS方法对材料的微观形貌和元素价态进行了表征。SEM结果表明,制备的材料具有二维纳米片形貌,通过TEM验证了PdO和SnO异质结构的形成。由于异质结的影响,在XPS测试中,PdO-SnO中Sn和O的能谱峰与SnO相比偏移了0.2 eV。与纯SnO传感器相比,PdO-SnO传感器表现出更好的乙醇传感性能,这得益于纳米片结构的大比表面积、PdO-SnO异质结对电阻的调制作用以及PdO对氧吸附的催化作用。对PdO-SnO表面的乙醇吸附特性进行了密度泛函理论(DFT)计算研究,以详细解释气敏机理。发现PdO提高了乙醇的还原性,增强了乙醇甲基的吸附,并增加了吸附位点。还推导了基于连续吸附位点的协同效应。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c8fe/11314670/5c0ee2c895e3/sensors-24-04970-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c8fe/11314670/7b76fb2e98e4/sensors-24-04970-g001.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c8fe/11314670/c0a139474662/sensors-24-04970-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c8fe/11314670/62b233c903e9/sensors-24-04970-g005.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c8fe/11314670/b740b1761fea/sensors-24-04970-g007.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c8fe/11314670/ec364227933d/sensors-24-04970-g009a.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c8fe/11314670/5c0ee2c895e3/sensors-24-04970-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c8fe/11314670/7b76fb2e98e4/sensors-24-04970-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c8fe/11314670/f47b1a36bbcf/sensors-24-04970-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c8fe/11314670/bc3659e9f276/sensors-24-04970-g003a.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c8fe/11314670/c0a139474662/sensors-24-04970-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c8fe/11314670/62b233c903e9/sensors-24-04970-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c8fe/11314670/ae148d7b1b35/sensors-24-04970-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c8fe/11314670/b740b1761fea/sensors-24-04970-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c8fe/11314670/e7f9c9a3f831/sensors-24-04970-g008a.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c8fe/11314670/ec364227933d/sensors-24-04970-g009a.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c8fe/11314670/5c0ee2c895e3/sensors-24-04970-g010.jpg

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