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On the choice of exchange-correlation functional for the correct band gap calculation in titanium oxide photocatalysts. / Shvalyuk, Daria N.; Shelyapina, Marina G.; Zvereva, Irina A.

In: Results in Chemistry, Vol. 7, 101296, 01.01.2024.

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

Harvard

Shvalyuk, DN, Shelyapina, MG & Zvereva, IA 2024, 'On the choice of exchange-correlation functional for the correct band gap calculation in titanium oxide photocatalysts', Results in Chemistry, vol. 7, 101296. https://doi.org/10.1016/j.rechem.2023.101296

APA

Shvalyuk, D. N., Shelyapina, M. G., & Zvereva, I. A. (2024). On the choice of exchange-correlation functional for the correct band gap calculation in titanium oxide photocatalysts. Results in Chemistry, 7, [ 101296]. https://doi.org/10.1016/j.rechem.2023.101296

Vancouver

Shvalyuk DN, Shelyapina MG, Zvereva IA. On the choice of exchange-correlation functional for the correct band gap calculation in titanium oxide photocatalysts. Results in Chemistry. 2024 Jan 1;7. 101296. https://doi.org/10.1016/j.rechem.2023.101296

Author

Shvalyuk, Daria N. ; Shelyapina, Marina G. ; Zvereva, Irina A. / On the choice of exchange-correlation functional for the correct band gap calculation in titanium oxide photocatalysts. In: Results in Chemistry. 2024 ; Vol. 7.

BibTeX

@article{aa2eefdacc294abba5b01278402eb3a3,
title = "On the choice of exchange-correlation functional for the correct band gap calculation in titanium oxide photocatalysts",
keywords = "перовскиты, слоистые перовскитоподобные оксиды, теория функционала плотности, ширина запрещенной зоны",
author = "Shvalyuk, {Daria N.} and Shelyapina, {Marina G.} and Zvereva, {Irina A.}",
year = "2024",
month = jan,
day = "1",
doi = "10.1016/j.rechem.2023.101296",
language = "English",
volume = "7",
journal = "Results in Chemistry",
issn = "2211-7156",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - On the choice of exchange-correlation functional for the correct band gap calculation in titanium oxide photocatalysts

AU - Shvalyuk, Daria N.

AU - Shelyapina, Marina G.

AU - Zvereva, Irina A.

PY - 2024/1/1

Y1 - 2024/1/1

KW - перовскиты

KW - слоистые перовскитоподобные оксиды

KW - теория функционала плотности

KW - ширина запрещенной зоны

UR - https://www.mendeley.com/catalogue/3b609d81-a49a-30c7-9745-09e86eee2f6a/

U2 - 10.1016/j.rechem.2023.101296

DO - 10.1016/j.rechem.2023.101296

M3 - Article

VL - 7

JO - Results in Chemistry

JF - Results in Chemistry

SN - 2211-7156

M1 - 101296

ER -

ID: 115312123