Theoretical and Experimental Investigations on H2 Sensing Properties of Flower-like Titanium Dioxide

Publication date: Available online 17 July 2018Source: Materials Research BulletinAuthor(s): Yuxuan Zhang, Wen Zeng, Yanqiong LiAbstractMicrostructure and gas sensing properties of partly agglomerating flower-like rutile TiO2 obtained using a one-pot hydrothermal method was investigated. Test results exhibited an excellent sensitivity to H2 gas and stable reproducibility. Further, we performed a first principles calculation of an established surface model to delve into the sensing mechanism. Adsorbed oxygen preferred to locate upon the Ti5c site, while the electronic structure of surface had rather weak changes after hydrogen adsorption. This simulation may pave a new path to further discover the sensing mechanism of rutile TiO2-based gas sensor.Graphical abstract
Source: Materials Research Bulletin - Category: Materials Science Source Type: research