Study on the adsorption of H2O molecules on Al3+ modified SnO2 (221) crystal plane and the application of humidity sensor

IF 4.3 3区材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Physics and Chemistry of Solids Pub Date : 2025-01-03 DOI:10.1016/j.jpcs.2025.112553

Dan Wang, Jiahui Liu, Jiarui Fang, Xiruo Bai, Yixuan Qie, Run Liu, Tianyu Wang, Chunguang Li, Tianle Lv, Hongyang Tian, Ziheng Li

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引用次数: 0

Abstract

The molecular adsorption behavior of O₂, N₂, and H₂O on the Al³⁺ modified SnO₂(221) crystal plane and its effect on conductivity were simulated using density functional theory (DFT). The results show that the H₂O molecule is chemically adsorbed on the crystal plane as characteristic adsorption species (CAS), forming a surface mode named H₂O–SnO₂–Al (221). The conductivity of H₂O–SnO₂–Al (221) is reduced by adsorbing O₂ and N₂ molecules. The simulation results were confirmed by electrochemical impedance spectroscopy (EIS) under various atmospheric conditions. Using the crystal plane as a humidity sensor to test the different humidity of the air. The results show that the conductivity increases with the rising humidity, which contradicts the results of the H₂O single molecule adsorption model. Further FTIR data shows that high humidity on the crystal plane led to the formation of aggregated water, which in turn enhanced both conductivity and capacitance.

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来源期刊

Journal of Physics and Chemistry of Solids 工程技术-化学综合

CiteScore

7.80

自引率

2.50%

发文量

605

审稿时长

40 days

期刊介绍： The Journal of Physics and Chemistry of Solids is a well-established international medium for publication of archival research in condensed matter and materials sciences. Areas of interest broadly include experimental and theoretical research on electronic, magnetic, spectroscopic and structural properties as well as the statistical mechanics and thermodynamics of materials. The focus is on gaining physical and chemical insight into the properties and potential applications of condensed matter systems. Within the broad scope of the journal, beyond regular contributions, the editors have identified submissions in the following areas of physics and chemistry of solids to be of special current interest to the journal: Low-dimensional systems Exotic states of quantum electron matter including topological phases Energy conversion and storage Interfaces, nanoparticles and catalysts.