Preparation and mechanism study of highly sensitive NH3 gas sensor based on Au-modified CdS nanoparticles

A high-performance ammonia (NH 3 ) gas sensor based on Au nanoparticles (AuNPs) modified CdS (Au/CdS) was synthesized by hydrothermal method, and the sensing mechanism of Au/CdS was studied by first-principles based on density functional theory (DFT). Experimental results show that the addition of AuNPs can effectively enhance CdS-based NH 3 gas sensor performance. Au/CdS sensor exhibits high response (16580), short response/recovery time (2.25 s/1.25 s), and low limit detection (500 ppb), good repeatability and stability. Because AuNPs can effectively increase the generation of sulfur vacancies on the surface of CdS, increasing the amount of chemisorbed oxygen and providing more active sites for NH 3 . Furthermore, the good conductivity of AuNPs promotes the separation and transport of carriers on CdS surface, thereby improving the gas sensing performance. DFT calculations indicate that the ionization energy of Au is less than that of Cd, which causes some Cd atoms to lose their coordination with S atoms and increase sulfur vacancies on the surface of CdS. In Au/CdS sensors, sulfur vacancies accelerate the cleavage of NH 3 , and resulting electrons participate in charge transport, thereby enhancing the adsorption energy. This study introduces a new method for fabricating high performance NH 3 sensor based on CdS rich in sulfur vacancies.