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Effect of rhodium doping for photocatalytic activity of barium titanate

Автор(ы)
B. M. Satanova
Aisulu U. Abuova
Marina Koņuhova
Zh. Ye. Zakiyeva
Ulzhan Zh. Tolegen
Fatima U. Abuova
Дата публикации
28 ноября 2024 г.
Тип
journal article
Издатель
Elsevier BV
Журнал
Том
25
Первая страница
100382
Последняя страница
100382
DOI
ISSN
2590-1478
Аннотация
By means of DFT oxygen evolution reaction on Rh-doped BaTiO 3 (001) surface has been modeled. Gibbs free energies for each step of the reaction as well as the values of overpotential have been calculated, taking into account the solvation effect. The position of Rh-induces defect energy levels have been determined. Our findings indicated a substantial reduction in overpotential for the Rhodium-modified TiO 2 surface compared to the bare surface. The high overpotential on the bare BaTiO 3 surface suggests low OER efficiency, making Rh doping a promising strategy for enhancement.
Темы

rhodium doping

barium titanate

photocatalysis

oxygen evolution reac...

overpotential

solvation effects

defect states

TiO2 surface

Gibbs free energy

Области науки (FoS)

Energy

Renewable Energy, Sus...

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W4404812888.pdf

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Полный текст в открытом доступе, лицензия cc-by-nc-nd; источник: http://dspace.lu.lv/bitstreams/6988b358-eac0-44eb-9ab1-79408052ab4b/download
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