First-principles study on the photocatalytic field of two-dimensional Janus BiSY (Y = I, Br, Cl) monolayers

Ye, Yingzhi; Sharshir, Swellam; Wang, Jun; Zhang, Bingwen; Wang, Chong; Yuan, Zhanhui

doi:10.1039/d3ta06337b

J. Mater. Chem. A

2023

DOI: 10.1039/d3ta06337b

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First-principles study on the photocatalytic field of two-dimensional Janus BiSY (Y = I, Br, Cl) monolayers

Yingzhi Ye,

Swellam Sharshir,

Jun Wang

et al.

Abstract: Two-dimensional photocatalytic materials have arisen as prominent materials within ecological and energy catalysis in recent years. Among these materials, two-dimensional Janus structures, including PdXY (X = S, Se; Y =...

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Synergy of Homojunction/Heterojunction to Enforce Photocatalytic Performance of BiSI/TiO₂ Quantum Dots/TiO_2–x Nanocomposites in NH₃ Generation

Pournemati,

Habibi-Yangjeh,

Khataee

2024

Ind. Eng. Chem. Res.

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The development of the global economy has caused irreparable damage to energy resources and the environment. Therefore, it is essential to find a solution to effectively deal with the energy crisis and environmental pollution. Photocatalytic nitrogen fixation processes employ renewable solar energy and water molecules under mild conditions to produce ammonia. In this attempt, in searching for efficacious materials for this reaction, ternary BiSI/TiO 2 quantum dots (QDs)/TiO 2−x nanocomposites were designed and fabricated by a green and easy procedure. The amount of ammonia generation over the optimal ternary BiSI/TiO 2 QDs/TiO 2−x photocatalyst reached 20,904 μmol L −1 g −1 within 180 min under ambient temperature and pressure, which was about 7.78, 5.45, 1.75, and 3.09 times as high as TiO 2 QDs, TiO 2−x , TiO 2 QDs/TiO 2−x , and BiSI photocatalysts, respectively. The matching of the energy bands with the developed double S-scheme homojunction/heterojunction mechanism and the establishment of optimal contact area between the components facilitated the separation and migration of charges and led to outstanding photocatalytic ability in ammonia generation. Furthermore, the improved specific surface area due to the quantum particle size and oxygen deficiency provided many active centers for adsorption and activation of dinitrogen molecules. As a result, the BiSI/TiO 2 QDs/TiO 2−x nanocomposites with biocompatible elements and remarkable stability are suitable for employing in the field of solar energy conversion.

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Synergy of Homojunction/Heterojunction to Enforce Photocatalytic Performance of BiSI/TiO₂ Quantum Dots/TiO_2–x Nanocomposites in NH₃ Generation

Pournemati,

Habibi-Yangjeh,

Khataee

2024

Ind. Eng. Chem. Res.

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First-principles study on the photocatalytic field of two-dimensional Janus BiSY (Y = I, Br, Cl) monolayers

Abstract: Two-dimensional photocatalytic materials have arisen as prominent materials within ecological and energy catalysis in recent years. Among these materials, two-dimensional Janus structures, including PdXY (X = S, Se; Y =...

Cited by 1 publication

References 57 publications

Synergy of Homojunction/Heterojunction to Enforce Photocatalytic Performance of BiSI/TiO₂ Quantum Dots/TiO_2–x Nanocomposites in NH₃ Generation

Synergy of Homojunction/Heterojunction to Enforce Photocatalytic Performance of BiSI/TiO₂ Quantum Dots/TiO_2–x Nanocomposites in NH₃ Generation

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First-principles study on the photocatalytic field of two-dimensional Janus BiSY (Y = I, Br, Cl) monolayers

Abstract: Two-dimensional photocatalytic materials have arisen as prominent materials within ecological and energy catalysis in recent years. Among these materials, two-dimensional Janus structures, including PdXY (X = S, Se; Y =...

Cited by 1 publication

References 57 publications

Synergy of Homojunction/Heterojunction to Enforce Photocatalytic Performance of BiSI/TiO2 Quantum Dots/TiO2–x Nanocomposites in NH3 Generation

Synergy of Homojunction/Heterojunction to Enforce Photocatalytic Performance of BiSI/TiO2 Quantum Dots/TiO2–x Nanocomposites in NH3 Generation

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Product

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Synergy of Homojunction/Heterojunction to Enforce Photocatalytic Performance of BiSI/TiO₂ Quantum Dots/TiO_2–x Nanocomposites in NH₃ Generation

Synergy of Homojunction/Heterojunction to Enforce Photocatalytic Performance of BiSI/TiO₂ Quantum Dots/TiO_2–x Nanocomposites in NH₃ Generation