Metal Oxide Nanoparticles (XO, X = Cu, Zn, Ni) Doped GeSe Monolayer: Theoretical Exploration of a Novel H₂S Gas Sensor for Health and Industrial Monitoring

Abstract

Real-time and accurate detection of H <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> S has been an urgent problem in industry and human health. In view of practical problems of the existing nano sensors such as poor selectivity, low sensitivity, strong or weak adsorption capacity, H <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> S sensors based on metal oxide nanoparticles (XO, X = Cu, Zn, Ni) doped GeSe monolayer are proposed. Compared with pure system, the improvement of the adsorption distance of doped systems proves the obvious interaction between the activated atoms and H <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> S. The excellent sensitivity ensures the detection effect of H <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> S at low concentration. The ideal adsorption energy makes doped systems have attractive adsorption and desorption properties. In addition, the excellent water resistance, high thermal stability and fascinating selectivity to H <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> S of doped systems verify the feasibility in practical application. This study lays a theoretical foundation for the development of new generation of wearable gas sensor for health and industrial monitoring.