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| 001 | 422002 | ||
| 005 | 20250729162647.0 | ||
| 024 | 7 | _ | |a 10.1016/j.jlumin.2019.03.031 |2 doi |
| 024 | 7 | _ | |a 0022-2313 |2 ISSN |
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| 100 | 1 | _ | |a Hizhnyi, Yu. |0 P:(DE-HGF)0 |b 0 |
| 245 | _ | _ | |a Origin of luminescence in ZnMoO$_4$ crystals: Insights from spectroscopic studies and electronic structure calculations |
| 260 | _ | _ | |a New York, NY [u.a.] |c 2019 |b Elsevier |
| 336 | 7 | _ | |a article |2 DRIVER |
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| 336 | 7 | _ | |a Journal Article |b journal |m journal |0 PUB:(DE-HGF)16 |s 1560292777_14868 |2 PUB:(DE-HGF) |
| 336 | 7 | _ | |a ARTICLE |2 BibTeX |
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| 500 | _ | _ | |a © Elsevier B.V.; Final published version in progress; Post referee fulltext in progress; Embargo 12 months from publication |
| 520 | _ | _ | |a A set of ZnMoO$_4$ polycrystalline samples was synthesized by solid state reaction method and characterized by XRD structural analysis, ICP elemental analysis, SEM-EDX analysis, UV–Vis diffuse reflectance spectroscopy. The photoluminescence (PL) properties of ZnMoO$_4$ samples were studied in 8–300 K temperature range with use of synchrotron radiation as an excitation source. The geometry-optimized electronic structure calculations of perfect and defective ZnMoO$_4$ crystals were carried out by the DFT-based band-structure methods, plane-wave pseudo-potential (CASTEP program package) and FP-LAPW (Wien2k package). A number of point defects which can influence the luminescence properties of ZnMoO$_4$ was considered in calculations, namely the oxygen vacancy V$_o$, compensated vacancies V$_o$ + V$_{Zn}$, tungsten impurity W$_{Mo}$ and the MoO$_3$-deficient phase Zn$_3$Mo$_2$O$_9$. Comparative analysis of experimental data and calculation results allowed explanation of the origin of the red and blue-green luminescence emission bands of ZnMoO$_4$ as well as formation of their excitation spectra. It is assumed that the green component of ZnMoO$_4$ luminescence emission, like in other molybdates of M$^{II}$MoO$_4$ family (M$^{II}$ = Ca, Sr, Cd, Pb) originates from radiative annihilation of excitons self-trapped on regular MoO$_4$ groups. The Red component of ZnMoO$_4$ emission has a defect-related origin and it originates from radiative transitions in MoO$_4$ groups located near oxygen vacancies. |
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| 700 | 1 | _ | |a Zatovsky, I. |0 P:(DE-HGF)0 |b 1 |
| 700 | 1 | _ | |a Nedilko, S. |0 P:(DE-H253)PIP1008527 |b 2 |
| 700 | 1 | _ | |a Boiko, R. |0 P:(DE-HGF)0 |b 3 |
| 700 | 1 | _ | |a Li, Junzhi |0 P:(DE-HGF)0 |b 4 |
| 700 | 1 | _ | |a Han, Wei |0 P:(DE-HGF)0 |b 5 |
| 700 | 1 | _ | |a Klyui, N. I. |0 P:(DE-HGF)0 |b 6 |e Corresponding author |
| 773 | _ | _ | |a 10.1016/j.jlumin.2019.03.031 |g Vol. 211, p. 127 - 137 |0 PERI:(DE-600)1491401-3 |p 127 - 137 |t Journal of luminescence |v 211 |y 2019 |x 0022-2313 |
| 856 | 4 | _ | |u https://www.sciencedirect.com/science/article/pii/S0022231318323196 |
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