Efficient charge transport and enhanced photocatalysis of ultrasonically decorated SnS QDs on g-C3N4 nanosheets

Sakthi, P.; Uma, J.; Chidambaram, Siva; Balraj, B.

doi:10.1007/s10854-022-09394-0

Cited by 4 publications

(2 citation statements)

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“…Previously different strategies were implemented to tune the band gap via external doping and creating heterostructure to suppress electron‐hole recombination rate upon irradiation [29] . The motivation comes from their abundance in the earth natural resources, high enough absorption coefficient, narrow band gap for electron‐hole recombination and exceptional stability [30,31] . SnS exhibits a very narrow and small band gap, due to this, it exhibits high electron‐hole recombination.…”

Section: Introductionmentioning

confidence: 99%

“…[29] The motivation comes from their abundance in the earth natural resources, high enough absorption coefficient, narrow band gap for electron-hole recombination and exceptional stability. [30,31] SnS exhibits a very narrow and small band gap, due to this, it exhibits high electron-hole recombination. The primary goal was band gap tunning via doping and creating their heterostructure to suppress electron-hole recombination rate upon irradiation.…”

Section: Introductionmentioning

confidence: 99%

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Unveiling the Electronic Structure of SnS for Photocatalytic Applications: A DFT Approach^†

Ali,

Rauf,

Ali

2024

ChemistrySelect

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Photocatalytic materials are of great scientific interest due to their potential applications in sustainable energy sources. Band gap and optical absorption of the materials are two core characteristics for photocatalysis that eventually depend on electronic structure. In order to accurately compute (predict) the electronic‐scale properties of a crystalline solid using first principles calculations, which might be costly to measure experimentally, large‐scale atomic level calculation frameworks have been made possible through the use of density functional theory (DFT). We have used DFT with many body perturbation theory (MBPT) by solving the bethe‐salpeter equation (BSE) to priorly predict the properties of bulk tin sulfide (SnS) as it meets the necessary requirements for photocatalytic applications. We fixed the DFT band gap underestimation by including the Hubbard parameter (U) and used projector augmented wave pseudo‐potentials with generalized‐gradient approximation (GGA) to calculate the electronic and optical properties of SnS. Optical properties were computed using independent particle approximation (IPA) and BSE with DFT+U wave functions. Our theoretical results align with experimental data for this material, demonstrating the potential for further research in validating experimental results with theoretical approximations and empirical relations.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Unveiling the Electronic Structure of SnS for Photocatalytic Applications: A DFT Approach^†

Ali,

Rauf,

Ali

2024

ChemistrySelect

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Revealing the potential of quantum dot nanomaterials in photocatalytic applications

Zhao,

Zhang,

et al. 2024

Chemosphere

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Microwave-assisted synthesis of nanostructured tin sulfide as a highly efficient visible-light active photocatalyst: Characterization, applications, and theoretical studies

Mohammadi

Fazaeli

Khodadadi

2023

Journal of Photochemistry and Photobiology A: Chemistry

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Efficient charge transport and enhanced photocatalysis of ultrasonically decorated SnS QDs on g-C3N4 nanosheets

Cited by 4 publications

References 21 publications

Unveiling the Electronic Structure of SnS for Photocatalytic Applications: A DFT Approach^†

Unveiling the Electronic Structure of SnS for Photocatalytic Applications: A DFT Approach^†

Revealing the potential of quantum dot nanomaterials in photocatalytic applications

Microwave-assisted synthesis of nanostructured tin sulfide as a highly efficient visible-light active photocatalyst: Characterization, applications, and theoretical studies

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Efficient charge transport and enhanced photocatalysis of ultrasonically decorated SnS QDs on g-C3N4 nanosheets

Cited by 4 publications

References 21 publications

Unveiling the Electronic Structure of SnS for Photocatalytic Applications: A DFT Approach†

Unveiling the Electronic Structure of SnS for Photocatalytic Applications: A DFT Approach†

Revealing the potential of quantum dot nanomaterials in photocatalytic applications

Microwave-assisted synthesis of nanostructured tin sulfide as a highly efficient visible-light active photocatalyst: Characterization, applications, and theoretical studies

Contact Info

Product

Resources

About

Unveiling the Electronic Structure of SnS for Photocatalytic Applications: A DFT Approach^†

Unveiling the Electronic Structure of SnS for Photocatalytic Applications: A DFT Approach^†