SnSe Monolayer-Based heavy metal sensors with high Sensitivity, Selectivity, and Reusability: Insights from first principle calculation

• DOI: 10.1016/j.rinp.2023.106973
• Publication Date: 2023-09-12T13:30:38Z
• Authors: Jiayin Wu; Xianxu Li; Le Huang; Tongle Liang; Xiaobo Xing; Aiping Luo
• Keywords: Reusability; Biasing

Heavy metal pollution has a negative impact on both human health and the environment. The monitoring of heavy is therefore very important from practical standpoint. In this study, adsorption energy, charge transfer, band, densities states, sensitivity SnSe monolayers toward metals (As, Cd, Cr, Hg, Ni, Pb) were investigated using density functional theory combined with non-equilibrium Green's function approach. calculations show that have excellent sensitivities exceeding limit quantitation (LOQ) towards As, Pb, which are as high 384467%, 1462%, 1791%, 26160%, respectively. Moreover, analyzing response peaks at various bias voltages can identify composition diverse sources, providing valuable insights for selective monitoring. exhibit wide voltage windows enhance sensor by reaching detection threshold, while also simplifying encapsulation, resulting in higher reliability. monolayer exhibits rapid recovery times Cd room temperature, heating to 498 K required recovery. These findings strong potential constructing extremely sensitive sensors reusable, implying might serve possible online environmental