Abstract
The adsorption behavior and sensing performance of formaldehyde (HCHO) on pristine and noble metal (Au, Ag and Pt) doped tellurene have been investigated by first-principles calculations within the density functional theory (DFT-D2 method). The results show that the adsorption ability of noble metal (Au, Ag and Pt) doped tellurene for HCHO is significantly stronger than that of pristine tellurene. Applying uniaxial and biaxial strains can adjust the adsorption behavior of HCHO on Pt doped tellurene. The results suggest that the 6% biaxial strain can enhance the interaction strength and sensing performance of HCHO adsorbed on Pt doped tellurene.
Full Text
Published Version
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call