Details

Autor(en) / Beteiligte

• Sakr, Mahmoud A. S.
• Saad, Mohamed A.
• Abdelsalam, Hazem
• Abd-Elkader, Omar H.
• Aleya, Lotfi
• Zhang, Qinfang

Titel

Two-Dimensional ZnS Quantum Dots for Gas Sensors: Electronic and Adsorption Properties

Ist Teil von

• Journal of electronic materials, 2023-08, Vol.52 (8), p.5227-5238

Ort / Verlag

New York: Springer US

Erscheinungsjahr

2023

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• A sustainable and healthy environment for human settlement depends on clean air. There is high demand for effective treatment techniques for hazardous gases produced by industry since they are important contributors to air pollution. Here, we use density functional theory to examine the electronic and optical characteristics of two-dimensional zinc sulfide (2D-ZnS) quantum dots as well as their interactions with the three most harmful gases, carbon monoxide (CO), nitrogen monoxide (NO), and methane (CH 4 ). The electronic energy gap, dipole moment, chemical potential, electronegativity, chemical hardness, and adsorption energy are estimated. Planar ZnS quantum dots show high capability for intermolecular bonding with several hazardous gases. The energy gap decreases and the reactivity increases by bonding with the hazardous gases. The UV–Vis spectra confirm the redshift to lower energies by the adsorption of CO and NO.