High-performance room temperature NH3 sensor based on zigzag morphology TiO2 nanorods.

Nanostructured materials present another alternative solution to improving the performance of gas sensors, which depends largely on their morphology. In this paper, the effects of different TiO 2 nanostructures on the gas sensing properties of NH 3 are explored through both experimentation and molecular dyanamics (MD) simulation. During the experiment, TiO 2 nanofilms, upright nanorods and zigzag nanorods are produced by means of glancing angle deposition (GLAD), while the nanostructures are characterized by scanning electron microscopy and X-ray powder diffraction. The test on concentration gradient, repeatability, and selectivity of NH 3 is conducted at room temperature. It is demonstrated that the nanostructures with distinct morphologies vary in gas sensing properties for NH 3. Notably, the 1 fold zigzag nanostructure outperforms other structures in NH 3 response. During the simulation process, the performance of various structures in adsorbing gas molecules is simulated through molecular dynamics to verify the relevant experimental results. Both experimental and simulation results show that 1 fold zigzag nanostructures are promising in terms of NH 3 sensing. • Zigzag TiO 2 nanorods for NH 3 detection were prepared by GLAD. • Corresponding molecular dynamics models for the sensor were established. • The one-fold nanorods showed the best response to NH 3. • The sensing mechanism was performed in detail. [ABSTRACT FROM AUTHOR]