RESUMO
N-type polycrystalline SnSe is considered as a highly promising candidates for thermoelectric applications due to facile processing, machinability, and scalability. However, existing efforts do not enable a peak ZT value exceeding 2.0 in n-type polycrystalline SnSe. Here, we realized a significant ZT enhancement by leveraging the synergistic effects of divacancy defect and introducing resonance level into the conduction band. The resonance level and increased density of states resulting from tungsten boost the Seebeck coefficient. The combination of the enhanced electrical conductivity (achieved by increasing carrier concentration through WCl6 doping and Se vacancies) and large Seebeck coefficient lead to a high power factor. Microstructural analyses reveal that the co-existence of divacancy defects (Se vacancies and Sn vacancies) and endotaxial W- and Cl-rich nanoprecipitates scatter phonons effectively, resulting in ultralow lattice conductivity. Ultimately, a record-high peak ZT of 2.2 at 773 K is achieved in n-type SnSe0.92 + 0.03WCl6.
RESUMO
In the present work, Zinc-oxide nanostructures and Ce/Zinc-oxide nanopetals were synthesized by a new environmentally friendly green synthesis method using the Withania coagulans plant. Cerium nitrate Ce(NO3)3 and zinc nitrate Zn(NO3)2 were used as precursors. The prepared nanostructures were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), and ultraviolet spectroscopy (UV-vis). Crystal planes (100), (002), (101), (102), (110), (103), (200), (112) and (201) at 2θ 31.75°, 34.35°, 36.2°, 47.55°, 56.6°, 62.75°, 66.3°, 67.9°, and 69.09° respectively confirmed the hexagonal wurtzite crystal structure of Zinc-oxide. Angular shifts for Ce1% doped Zinc-oxide and Ce3% doped Zinc-oxide nanopetal nanostructures were observed in the (100) and (101) planes of the crystal. More specifically, using Scherrer's equation, the crystallite sizes of Zinc-oxide, Ce1% doped Zinc-oxide nanopetals, Ce3% doped Zinc-oxide nanopetals, and Ce5% doped Zinc-oxide nanopetals were 16.48 ± 02 nm, 17.8 ± 2 nm, 18.8 ± 2 nm, and 18.87 ± 2 nm, respectively. The pure Zinc-oxide grain had the appearance of a nanoflower. On the other hand, the nanopetal structure of Ce5% doped Zinc-oxide nanopetals had oval-shaped nanopetal morphology. The absorption peaks were observed at 373, 376.4, 377, and 378 nm for Zinc-oxide, Ce1% doped Zinc-oxide nanopetals, Ce3% doped Zinc-oxide nanopetals, and Ce5% doped Zinc-oxide nanopetals, respectively, which results in a progressive redshift. The gap energies of Zinc-oxide, Ce1% doped Zinc-oxide nanopetals, Ce3% doped Zinc-oxide nanopetals, and Ce5% doped Zinc-oxide nanopetals were 2.796, 2.645, 2.534, and 2.448 eV, respectively. Photodegradation under visible light (>400 nm) indicates the high efficiency of the photocatalyst based on Ce5% doped Zinc-oxide nanopetals. DFT calculations, structural changes, charge analysis, and electronic band structures were carried out to confirm the experiment.