Exploring the weak visible-near-infrared and NO2 detection capabilities of PbS/Sb2O5 heterostructures with DFT interpretations

Abstract

Abstract The need for photosensors and gas sensors arises from their pivotal roles in various technological applications, ensuring enhanced efficiency, safety, and functionality in diverse fields. In this paper, interlinked PbS/Sb2O5 thin film has been synthesized by a magnetron sputtering method. We control the temperature to form the nanocomposite by using their different nucleation temperature during the sulfonation process. A nanostructured PbS/Sb2O5 with cross-linked morphology was synthesized by using this fast and efficient method. This method has also been used to grow a uniform thin film of nanocomposite. The photo-sensing and gas-sensing properties related to the PbS/Sb2O5 compared with those of other nanomaterials have also been investigated. The experimental and theoretical calculations reveal that the PbS/Sb2O5 exhibits extraordinarily superior photo-sensing and gas-sensing properties in terms of providing a pathway for electron transport to the electrode. The attractive highly sensitive photo and gas sensing properties of PbS/Sb2O5 make them applicable for many different kinds of applications. The responsivity and detectivity of PbS/Sb2O5 are 0.28 S/mWcm−2 and 1.68 × 1011 Jones respectively. The sensor response towards NO2 gas was found to be 0.98 at 10 ppb with an limit of detection (LOD) of 0.083 ppb. The PbS/Sb2O5 exhibits high selectivity towards the NO2 gas. Density functional theory (DFT) and time-dependent density functional theory (TD-DFT) were used to analyze the geometries, electronic structure, and electronic absorption spectra of a light sensor fabricated by PbS/Sb2O5. The results are very analogous to the experimental results. Both photosensors and gas sensors are indispensable tools that contribute significantly to the evolution of technology and the improvement of various aspects of modern life.