{"title":"Strain‐Induced Selective Active Gas Sensor Based on Fe‐Loaded Black Phosphorus","authors":"Zongyu Huang, Xi Chen, Chaobo Luo, Shenrui Zhang, Yongxiang Cui, Gencai Guo, Jianxin Zhong, Xiang Qi","doi":"10.1002/pssb.202400011","DOIUrl":null,"url":null,"abstract":"The possibility of Fe loaded on BP (Fe@BP) as an efficient gas sensor for the detection of toxic gases such as NO<jats:sub>2</jats:sub>, NO, and CO is studied by the first‐principles calculation, and it is proposed that Fe@BP is an excellent gas‐sensitive material. The adsorption behaviors of gases on Fe@BP were analyzed in terms of adsorption configurations and electronic properties. It is found that all gases adsorbed on Fe@BP exhibit significantly enhanced interactions, and the adsorption intensity is much larger than that of molecules adsorbed on the surface of pure BP. Fe@BP has high selectivity for toxic and ambient gas molecules. In addition, the adsorption strength of NO<jats:sub>2</jats:sub> and NO molecules on Fe@BP increases after compression strain is applied (within −3%), while the adsorption strength of CO decreases gradually. After the tensile strain is applied, the adsorption intensity of NO<jats:sub>2</jats:sub> and NO is decreased, but that of CO is increased gradually. It is speculated that the strain causes changes in the electronic structure, which affects the adsorption behavior. The adsorption of NO has a stronger strain sensitivity. For these reasons, Fe@BP with high adsorption strength and strain selection is the ideal gas‐sensitive material.","PeriodicalId":20406,"journal":{"name":"Physica Status Solidi B-basic Solid State Physics","volume":null,"pages":null},"PeriodicalIF":1.5000,"publicationDate":"2024-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physica Status Solidi B-basic Solid State Physics","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.1002/pssb.202400011","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"PHYSICS, CONDENSED MATTER","Score":null,"Total":0}
引用次数: 0
Abstract
The possibility of Fe loaded on BP (Fe@BP) as an efficient gas sensor for the detection of toxic gases such as NO2, NO, and CO is studied by the first‐principles calculation, and it is proposed that Fe@BP is an excellent gas‐sensitive material. The adsorption behaviors of gases on Fe@BP were analyzed in terms of adsorption configurations and electronic properties. It is found that all gases adsorbed on Fe@BP exhibit significantly enhanced interactions, and the adsorption intensity is much larger than that of molecules adsorbed on the surface of pure BP. Fe@BP has high selectivity for toxic and ambient gas molecules. In addition, the adsorption strength of NO2 and NO molecules on Fe@BP increases after compression strain is applied (within −3%), while the adsorption strength of CO decreases gradually. After the tensile strain is applied, the adsorption intensity of NO2 and NO is decreased, but that of CO is increased gradually. It is speculated that the strain causes changes in the electronic structure, which affects the adsorption behavior. The adsorption of NO has a stronger strain sensitivity. For these reasons, Fe@BP with high adsorption strength and strain selection is the ideal gas‐sensitive material.
期刊介绍:
physica status solidi is devoted to the thorough peer review and the rapid publication of new and important results in all fields of solid state and materials physics, from basic science to applications and devices. Being among the largest and most important international publications, the pss journals publish review articles, letters and original work as well as special issues and conference contributions.
physica status solidi b – basic solid state physics is devoted to topics such as theoretical and experimental investigations of the atomistic and electronic structure of solids in general, phase transitions, electronic and optical properties of low-dimensional, nano-scale, strongly correlated, or disordered systems, superconductivity, magnetism, ferroelectricity etc.