Synthesis, Characterization, and Electronic Properties of ZnO/ZnS Core/Shell Nanostructures Investigated Using a Multidisciplinary Approach
Аутори
Zagorac, Jelena B.![](/themes/MirageVinar/images/orcid.png)
Zagorac, Dejan
![](/themes/MirageVinar/images/orcid.png)
Šrot, Vesna
Ranđelović, Marjan
Pejić, Milan
![](/themes/MirageVinar/images/orcid.png)
van Aken, Peter A.
![](/themes/MirageVinar/images/orcid.png)
Matović, Branko
![](/themes/MirageVinar/images/orcid.png)
Schön, Christian J.
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
ZnO/ZnS core/shell nanostructures, which are studied for diverse possible applications, ranging from semiconductors, photovoltaics, and light-emitting diodes (LED), to solar cells, infrared detectors, and thermoelectrics, were synthesized and characterized by XRD, HR-(S)TEM, and analytical TEM (EDX and EELS). Moreover, band-gap measurements of the ZnO/ZnS core/shell nanostructures have been performed using UV/Vis DRS. The experimental results were combined with theoretical modeling of ZnO/ZnS (hetero)structures and band structure calculations for ZnO/ZnS systems, yielding more insights into the properties of the nanoparticles. The ab initio calculations were performed using hybrid PBE0 and HSE06 functionals. The synthesized and characterized ZnO/ZnS core/shell materials show a unique three-phase composition, where the ZnO phase is dominant in the core region and, interestingly, the auxiliary ZnS compound occurs in two phases as wurtzite and sphalerite in the shell region. Moreover, the...oretical ab initio calculations show advanced semiconducting properties and possible band-gap tuning in such ZnO/ZnS structures.
Кључне речи:
ab initio / band gap / core/shell / HR-(S)TEM / XRD / ZnO/ZnSИзвор:
Materials, 2023, 16, 1, 326-Финансирање / пројекти:
- Ministry of Education, Science and Technological Development of the Republic of Serbia [Grants no. 1702201 and 1702313]
- German-Serbian bilateral project DAAD PPP Serbien [Project no. 57512952]
- Horizon 2020 [Grant No. 823717—ESTEEM3]
Институција/група
VinčaTY - JOUR AU - Zagorac, Jelena B. AU - Zagorac, Dejan AU - Šrot, Vesna AU - Ranđelović, Marjan AU - Pejić, Milan AU - van Aken, Peter A. AU - Matović, Branko AU - Schön, Christian J. PY - 2023 UR - https://vinar.vin.bg.ac.rs/handle/123456789/10592 AB - ZnO/ZnS core/shell nanostructures, which are studied for diverse possible applications, ranging from semiconductors, photovoltaics, and light-emitting diodes (LED), to solar cells, infrared detectors, and thermoelectrics, were synthesized and characterized by XRD, HR-(S)TEM, and analytical TEM (EDX and EELS). Moreover, band-gap measurements of the ZnO/ZnS core/shell nanostructures have been performed using UV/Vis DRS. The experimental results were combined with theoretical modeling of ZnO/ZnS (hetero)structures and band structure calculations for ZnO/ZnS systems, yielding more insights into the properties of the nanoparticles. The ab initio calculations were performed using hybrid PBE0 and HSE06 functionals. The synthesized and characterized ZnO/ZnS core/shell materials show a unique three-phase composition, where the ZnO phase is dominant in the core region and, interestingly, the auxiliary ZnS compound occurs in two phases as wurtzite and sphalerite in the shell region. Moreover, theoretical ab initio calculations show advanced semiconducting properties and possible band-gap tuning in such ZnO/ZnS structures. T2 - Materials T1 - Synthesis, Characterization, and Electronic Properties of ZnO/ZnS Core/Shell Nanostructures Investigated Using a Multidisciplinary Approach VL - 16 IS - 1 SP - 326 DO - 10.3390/ma16010326 ER -
@article{ author = "Zagorac, Jelena B. and Zagorac, Dejan and Šrot, Vesna and Ranđelović, Marjan and Pejić, Milan and van Aken, Peter A. and Matović, Branko and Schön, Christian J.", year = "2023", abstract = "ZnO/ZnS core/shell nanostructures, which are studied for diverse possible applications, ranging from semiconductors, photovoltaics, and light-emitting diodes (LED), to solar cells, infrared detectors, and thermoelectrics, were synthesized and characterized by XRD, HR-(S)TEM, and analytical TEM (EDX and EELS). Moreover, band-gap measurements of the ZnO/ZnS core/shell nanostructures have been performed using UV/Vis DRS. The experimental results were combined with theoretical modeling of ZnO/ZnS (hetero)structures and band structure calculations for ZnO/ZnS systems, yielding more insights into the properties of the nanoparticles. The ab initio calculations were performed using hybrid PBE0 and HSE06 functionals. The synthesized and characterized ZnO/ZnS core/shell materials show a unique three-phase composition, where the ZnO phase is dominant in the core region and, interestingly, the auxiliary ZnS compound occurs in two phases as wurtzite and sphalerite in the shell region. Moreover, theoretical ab initio calculations show advanced semiconducting properties and possible band-gap tuning in such ZnO/ZnS structures.", journal = "Materials", title = "Synthesis, Characterization, and Electronic Properties of ZnO/ZnS Core/Shell Nanostructures Investigated Using a Multidisciplinary Approach", volume = "16", number = "1", pages = "326", doi = "10.3390/ma16010326" }
Zagorac, J. B., Zagorac, D., Šrot, V., Ranđelović, M., Pejić, M., van Aken, P. A., Matović, B.,& Schön, C. J.. (2023). Synthesis, Characterization, and Electronic Properties of ZnO/ZnS Core/Shell Nanostructures Investigated Using a Multidisciplinary Approach. in Materials, 16(1), 326. https://doi.org/10.3390/ma16010326
Zagorac JB, Zagorac D, Šrot V, Ranđelović M, Pejić M, van Aken PA, Matović B, Schön CJ. Synthesis, Characterization, and Electronic Properties of ZnO/ZnS Core/Shell Nanostructures Investigated Using a Multidisciplinary Approach. in Materials. 2023;16(1):326. doi:10.3390/ma16010326 .
Zagorac, Jelena B., Zagorac, Dejan, Šrot, Vesna, Ranđelović, Marjan, Pejić, Milan, van Aken, Peter A., Matović, Branko, Schön, Christian J., "Synthesis, Characterization, and Electronic Properties of ZnO/ZnS Core/Shell Nanostructures Investigated Using a Multidisciplinary Approach" in Materials, 16, no. 1 (2023):326, https://doi.org/10.3390/ma16010326 . .