Standard

Ba3(BO3)2: the first example of dynamic disorder in a borate crystal. / Sagatov, Nursultan E.; Gavryushkin, Pavel N.; Bekker, Tatyana B. et al.

In: Physical Chemistry Chemical Physics, Vol. 24, No. 27, 17.06.2022, p. 16437-16441.

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

Harvard

Sagatov, NE, Gavryushkin, PN, Bekker, TB & Litasov, KD 2022, 'Ba3(BO3)2: the first example of dynamic disorder in a borate crystal', Physical Chemistry Chemical Physics, vol. 24, no. 27, pp. 16437-16441. https://doi.org/10.1039/d2cp01846b

APA

Sagatov, N. E., Gavryushkin, P. N., Bekker, T. B., & Litasov, K. D. (2022). Ba3(BO3)2: the first example of dynamic disorder in a borate crystal. Physical Chemistry Chemical Physics, 24(27), 16437-16441. https://doi.org/10.1039/d2cp01846b

Vancouver

Sagatov NE, Gavryushkin PN, Bekker TB, Litasov KD. Ba3(BO3)2: the first example of dynamic disorder in a borate crystal. Physical Chemistry Chemical Physics. 2022 Jun 17;24(27):16437-16441. doi: 10.1039/d2cp01846b

Author

Sagatov, Nursultan E. ; Gavryushkin, Pavel N. ; Bekker, Tatyana B. et al. / Ba3(BO3)2: the first example of dynamic disorder in a borate crystal. In: Physical Chemistry Chemical Physics. 2022 ; Vol. 24, No. 27. pp. 16437-16441.

BibTeX

@article{83b1ecaf20c94d59b3c8ad0561ad33be,
title = "Ba3(BO3)2: the first example of dynamic disorder in a borate crystal",
abstract = "Based on ab initio molecular dynamic simulations, dynamic disorder of [BO3] groups in the Ba3(BO3)2 compound has been established. This is the first example of dynamic disorder in borates. It has been shown that static disorder of BO3 groups in the Ba3(BO3)2 crystals [Bekker et al., J. Am. Ceram. Soc., 2018, 101, 450] can be the result of quenching of dynamically disordered high-temperature modifications.",
author = "Sagatov, {Nursultan E.} and Gavryushkin, {Pavel N.} and Bekker, {Tatyana B.} and Litasov, {Konstantin D.}",
note = "Publisher Copyright: {\textcopyright} 2022 The Royal Society of Chemistry.",
year = "2022",
month = jun,
day = "17",
doi = "10.1039/d2cp01846b",
language = "English",
volume = "24",
pages = "16437--16441",
journal = "Physical Chemistry Chemical Physics",
issn = "1463-9076",
publisher = "Royal Society of Chemistry",
number = "27",

}

RIS

TY - JOUR

T1 - Ba3(BO3)2: the first example of dynamic disorder in a borate crystal

AU - Sagatov, Nursultan E.

AU - Gavryushkin, Pavel N.

AU - Bekker, Tatyana B.

AU - Litasov, Konstantin D.

N1 - Publisher Copyright: © 2022 The Royal Society of Chemistry.

PY - 2022/6/17

Y1 - 2022/6/17

N2 - Based on ab initio molecular dynamic simulations, dynamic disorder of [BO3] groups in the Ba3(BO3)2 compound has been established. This is the first example of dynamic disorder in borates. It has been shown that static disorder of BO3 groups in the Ba3(BO3)2 crystals [Bekker et al., J. Am. Ceram. Soc., 2018, 101, 450] can be the result of quenching of dynamically disordered high-temperature modifications.

AB - Based on ab initio molecular dynamic simulations, dynamic disorder of [BO3] groups in the Ba3(BO3)2 compound has been established. This is the first example of dynamic disorder in borates. It has been shown that static disorder of BO3 groups in the Ba3(BO3)2 crystals [Bekker et al., J. Am. Ceram. Soc., 2018, 101, 450] can be the result of quenching of dynamically disordered high-temperature modifications.

UR - http://www.scopus.com/inward/record.url?scp=85133626914&partnerID=8YFLogxK

U2 - 10.1039/d2cp01846b

DO - 10.1039/d2cp01846b

M3 - Article

C2 - 35766217

AN - SCOPUS:85133626914

VL - 24

SP - 16437

EP - 16441

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

SN - 1463-9076

IS - 27

ER -

ID: 36778509