Investigation of the adsorption properties of DNA nucleotides on CuO-doped SnSe monolayer surface

Highly sensitive nucleobase sensors offer promising advancements in health and research. This study explores CuO doping's impact on SnSe monolayer adsorption with DNA nucleobases. SnSe-CuO exhibits reduced bandgap and WF compared to Pure SnSe. These alterations signify an augmentation in the material's electron interaction and transport capabilities, consequently amplifying its adsorption prowess for the nucleobases (A: 161 %, C: 112 %, G: 105 %, T: 161 %). Moreover, in-depth analyses of ELF and ED illuminate that nucleobase adsorption on SnSe-CuO primarily entails physical interactions. The investigation extends to EDD and electrostatic potential images, facilitating the identification of electron-rich and electron-depleted regions, thus elucidating the pathways of electron transfer during the adsorption process. In addition, our comparative analysis of Eads for SnSe-CuO monolayers with recent reference articles underscores the exceptional performance of this material. Employing a tailored fitting equation, we establish a robust mathematical relationship between the dielectric constant of solvents and Eads. Lastly, calculations of desorption times for each system reveal that at a temperature of 598 K, all systems manifest desorption times of less than 14 h, highlighting SnSe-CuO's potential as a reusable nucleobase sensor material. This study demonstrates SnSe-CuO monolayers' feasibility in industrial nucleobase sensor applications, offering enhanced sensitivity and versatility.