Effect of transition metal doping on the photoelectric structure of single layer NbS2 under defects

MODERN PHYSICS LETTERS B(2024)

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摘要
Excellent semiconductors and novel optical properties are the first criteria for nanomaterial technology. In this paper, the S-atom defect is applied to 1T-NbS2 for the first time, and doping atoms are introduced. The concentration of doping atoms is 3.84% and 4% under the two types of defects. Finally, the metallic properties of NbS2 were weakened successfully, and the highest indirect band gap of 0.27 eV was induced, which gradually transformed into a brand-new semiconductor material. In addition, partially composite systems exhibit excellent electromagnetic storage, polarizability, and infrared light absorption, showing high reflectivity in the visible and low-frequency UV regions, which can be used to make blackout lenses and reflective coatings. Cd composite systems can be used as a new type of conducting semiconductor for all kinds of equipment.
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关键词
Monolayer NbS2,defect,doped,first-principles
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