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Synthesis, structure and properties of the novel quaternary selenide BaSmCuSe3: Experimental and theoretical insights. / Ruseikina, Anna; Grigoriev, Maxim; Chernyshev, Vladimir et al.
In: Inorganic Chemistry Communications, Vol. 160, 111909, 2024.

Research output: Contribution to journal › Article › peer-review

Harvard

Ruseikina, A, Grigoriev, M, Chernyshev, V & Safin, D 2024, 'Synthesis, structure and properties of the novel quaternary selenide BaSmCuSe3: Experimental and theoretical insights', Inorganic Chemistry Communications, vol. 160, 111909. https://doi.org/10.1016/j.inoche.2023.111909

APA

Ruseikina, A., Grigoriev, M., Chernyshev, V., & Safin, D. (2024). Synthesis, structure and properties of the novel quaternary selenide BaSmCuSe3: Experimental and theoretical insights. Inorganic Chemistry Communications, 160, [111909]. https://doi.org/10.1016/j.inoche.2023.111909

Vancouver

Ruseikina A, Grigoriev M, Chernyshev V, Safin D. Synthesis, structure and properties of the novel quaternary selenide BaSmCuSe3: Experimental and theoretical insights. Inorganic Chemistry Communications. 2024;160:111909. doi: 10.1016/j.inoche.2023.111909

Author

Ruseikina, Anna ; Grigoriev, Maxim ; Chernyshev, Vladimir et al. / Synthesis, structure and properties of the novel quaternary selenide BaSmCuSe3: Experimental and theoretical insights. In: Inorganic Chemistry Communications. 2024 ; Vol. 160.

BibTeX

@article{b8e454fefc2643beab3c2a23112b713d,
title = "Synthesis, structure and properties of the novel quaternary selenide BaSmCuSe3: Experimental and theoretical insights",
abstract = "Barium containing quaternary chalcogenides have recently attracted significant interest due to their promising thermoelectric applications. The novel semiconductor quaternary selenide BaSmCuSe3 of the orthorhombic space group Cmcm with the KZrCuS3 structure type was obtained for the first time using a reductive selenidation method. Structural parameters and optical properties of BaSmCuSe3 were discussed in comparison with the isostructural sulfide BaSmCuS3. Replacing sulfur with selenium in a quaternary chalcogenide leads to a narrowing of the band gap from 2.30 eV to 1.93 eV. The crystal structure and optical properties of the synthesized herein compound were discussed within the ab initio approach. The reults of calculations are in good agreement with the experimental characteristics.",
author = "Anna Ruseikina and Maxim Grigoriev and Vladimir Chernyshev and Damir Safin",
note = "This work was partially performed using resources of the Research Resource Center «Natural Resource Management and Physico-Chemical Research», and the laboratory for electron and probe microscopy of the Scientific and Educational Center (SEC) for Nanotechnologies (University of Tyumen ). The work was supported by The Ministry of Science and Higher Education of the Russian Federation , project, No. FEUZ-2023-0017 .",
year = "2024",
doi = "10.1016/j.inoche.2023.111909",
language = "English",
volume = "160",
journal = "Inorganic Chemistry Communications",
issn = "1387-7003",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Synthesis, structure and properties of the novel quaternary selenide BaSmCuSe3: Experimental and theoretical insights

AU - Ruseikina, Anna

AU - Grigoriev, Maxim

AU - Chernyshev, Vladimir

AU - Safin, Damir

N1 - This work was partially performed using resources of the Research Resource Center «Natural Resource Management and Physico-Chemical Research», and the laboratory for electron and probe microscopy of the Scientific and Educational Center (SEC) for Nanotechnologies (University of Tyumen ). The work was supported by The Ministry of Science and Higher Education of the Russian Federation , project, No. FEUZ-2023-0017 .

PY - 2024

Y1 - 2024

N2 - Barium containing quaternary chalcogenides have recently attracted significant interest due to their promising thermoelectric applications. The novel semiconductor quaternary selenide BaSmCuSe3 of the orthorhombic space group Cmcm with the KZrCuS3 structure type was obtained for the first time using a reductive selenidation method. Structural parameters and optical properties of BaSmCuSe3 were discussed in comparison with the isostructural sulfide BaSmCuS3. Replacing sulfur with selenium in a quaternary chalcogenide leads to a narrowing of the band gap from 2.30 eV to 1.93 eV. The crystal structure and optical properties of the synthesized herein compound were discussed within the ab initio approach. The reults of calculations are in good agreement with the experimental characteristics.

AB - Barium containing quaternary chalcogenides have recently attracted significant interest due to their promising thermoelectric applications. The novel semiconductor quaternary selenide BaSmCuSe3 of the orthorhombic space group Cmcm with the KZrCuS3 structure type was obtained for the first time using a reductive selenidation method. Structural parameters and optical properties of BaSmCuSe3 were discussed in comparison with the isostructural sulfide BaSmCuS3. Replacing sulfur with selenium in a quaternary chalcogenide leads to a narrowing of the band gap from 2.30 eV to 1.93 eV. The crystal structure and optical properties of the synthesized herein compound were discussed within the ab initio approach. The reults of calculations are in good agreement with the experimental characteristics.

UR - https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=tsmetrics&SrcApp=tsm_test&DestApp=WOS_CPL&DestLinkType=FullRecord&KeyUT=001146645600001

UR - http://www.scopus.com/inward/record.url?partnerID=8YFLogxK&scp=85183758539

U2 - 10.1016/j.inoche.2023.111909

DO - 10.1016/j.inoche.2023.111909

M3 - Article

VL - 160

JO - Inorganic Chemistry Communications

JF - Inorganic Chemistry Communications

SN - 1387-7003

M1 - 111909

ER -

ID: 52351063