| Autor: |
Kuzmin, Alexei, Dile, Milena, Laganovska, Katrina, Zolotarjovs, Aleksejs |
| Rok vydání: |
2022 |
| Předmět: |
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| Zdroj: |
Mater. Chem. Phys. 290 (2022) 126583 |
| Druh dokumentu: |
Working Paper |
| DOI: |
10.1016/j.matchemphys.2022.126583 |
| Popis: |
Undoped and Mn-doped ZnS nanocrystals were produced by the microwave-assisted solvothermal method and characterized by X-ray diffraction, photoluminescence spectroscopy and scanning electron microscopy with energy-dispersive X-ray spectroscopy. All samples have the cubic zinc blende structure with the lattice parameter in the range of $a$ = 5.406-5.411 \r{A}, and the average size of crystallites is in the range of 6-9 nm. These nanoparticles agglomerate and form large grains with an average size of up to 180 nm. The photoluminescence of the undoped ZnS sample shows a broad emission band located at 530 nm, attributed to the defects at the surface of nanoparticles. In all Mn-doped samples, the emission peak at 598 nm was observed assigned to the characteristic forbidden transition between excited ($^4$T$_1$) and ground ($^6$A$_1$) levels of Mn$^{2+}$. Synchrotron radiation X-ray absorption spectroscopy at the Zn and Mn K-edges combined with reverse Monte Carlo (RMC) simulations based on the evolutionary algorithm confirms that manganese ions substitute zinc ions. However, the difference in the ion sizes ($R$(Mn$^{2+}$(IV)) = 0.66 \r{A} and $R$(Zn$^{2+}$(IV)) = 0.60 \r{A}) is responsible for the larger interatomic distances Mn-S (2.40(2) \r{A}) compared to Zn-S (2.33(2) \r{A}). The static structural relaxations in ZnS:Mn nanoparticles are responsible for the large values of the mean-square displacements factors for Zn, S and Mn atoms obtained by RMC simulations. |
| Databáze: |
arXiv |
| Externí odkaz: |
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