Band Engineering Induced by Sulphur Vacancies in MoS 2 /g-C 3 N 4 or Selective CO 2 Photoreduction to CH 3 OH.
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| Title: | Band Engineering Induced by Sulphur Vacancies in MoS 2 /g-C 3 N 4 or Selective CO 2 Photoreduction to CH 3 OH. |
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| Authors: | Liu, Shicheng1 (AUTHOR), Yu, Junbo1 (AUTHOR), Chen, Xiangyu1 (AUTHOR), Li, Na1 (AUTHOR), Zhou, Qulan1 (AUTHOR) qlzhou@mail.xjtu.edu.cn |
| Source: | Nanomaterials (2079-4991). Sep2025, Vol. 15 Issue 17, p1294. 17p. |
| Subjects: | Carbon dioxide, Methanol production, Photocatalysts, Chemical reduction, Band gaps, Molybdenum disulfide |
| Abstract: | Developing photocatalysts with both high efficiency and reaction pathway selectivity is essential for achieving efficient and sustainable CO2 conversion. By incorporating sulphur vacancies into MoS2, an S-scheme heterojunction photocatalyst (MoS2-SVs/g-C3N4) was developed, achieving efficient and selective CO2 photoreduction to CH3OH. The structural and photoelectronic characterisation of the system shows that the heterogeneous interface between MoS2 and g-C3N4 is in close contact. The introduction of SVs effectively modulates the electronic structure and surface activity of MoS2, which in turn enhances the CO2 reduction performance. Optical and electronic structure analyses reveal that the heterojunction promotes favourable band alignment and interfacial electric potential gradients, which together suppress charge recombination and enhance directional carrier separation. Under irradiation, the MoS2-SVs/g-C3N4 photocatalyst exhibited outstanding photocatalytic CH3OH production with a yield of 10.06 μmol·h−1·g−1, significantly surpassing the performance of control samples while demonstrating excellent product selectivity and remarkable stability. Mechanistic studies further verify that vacancy-induced energy band modulation with Fermi energy level enhancement significantly reduces the multi-electron transfer barrier, thus preferentially driving the CH3OH generation pathway. This work proposes a universal structural design strategy that synergistically coordinates vacancy engineering with band structure modulation, establishing both theoretical principles and practical methodologies for developing selective multi-electron CO2 reduction systems. [ABSTRACT FROM AUTHOR] |
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| Database: | Engineering Source |
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| Abstract: | Developing photocatalysts with both high efficiency and reaction pathway selectivity is essential for achieving efficient and sustainable CO2 conversion. By incorporating sulphur vacancies into MoS2, an S-scheme heterojunction photocatalyst (MoS2-SVs/g-C3N4) was developed, achieving efficient and selective CO2 photoreduction to CH3OH. The structural and photoelectronic characterisation of the system shows that the heterogeneous interface between MoS2 and g-C3N4 is in close contact. The introduction of SVs effectively modulates the electronic structure and surface activity of MoS2, which in turn enhances the CO2 reduction performance. Optical and electronic structure analyses reveal that the heterojunction promotes favourable band alignment and interfacial electric potential gradients, which together suppress charge recombination and enhance directional carrier separation. Under irradiation, the MoS2-SVs/g-C3N4 photocatalyst exhibited outstanding photocatalytic CH3OH production with a yield of 10.06 μmol·h−1·g−1, significantly surpassing the performance of control samples while demonstrating excellent product selectivity and remarkable stability. Mechanistic studies further verify that vacancy-induced energy band modulation with Fermi energy level enhancement significantly reduces the multi-electron transfer barrier, thus preferentially driving the CH3OH generation pathway. This work proposes a universal structural design strategy that synergistically coordinates vacancy engineering with band structure modulation, establishing both theoretical principles and practical methodologies for developing selective multi-electron CO2 reduction systems. [ABSTRACT FROM AUTHOR] |
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| ISSN: | 20794991 |
| DOI: | 10.3390/nano15171294 |
