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RESEARCH PAPER · Applied Surface Science · 2024

Enhanced photocatalytic hydrogen production of the S-scheme GeC/β-ZrNBr heterostructure by external electric field: A first-principles study

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Enhanced photocatalytic hydrogen production of the S-scheme GeC/β-ZrNBr heterostructure by external electric field: A first-principles studyOriginalAdvances in computational design of van der Waals heterostructures for photocatalytic water splitting15Tuning the electronic and optical properties of GDY/MoSSe and GDY/MoSeS heterostructures under external electric field1Direct type-II band alignment in CdO/GaSe vdW heterojunction: A DFT study for solar hydrogen production in broad pH range4The role of distinct metal cocatalysts in tuning β-ZrNBr for diverse photocatalytic applications0First-principles investigation on type-II band alignment of GeC/B 2 SSe van der Waals heterostructure for efficient photocatalytic water splitting0High solar-to-hydrogen efficiency S-scheme SnC/g-C6N6 van der Waals heterojunction for solar water splitting1Nitrogen-oxygen double vacancies induce C-W interactions at the g-C3N4-x NSs@Bi2WO6-x interface to construct stable Z-type heterojunctions for efficient activation of PMS to degrade ciprofloxacin1Charge carrier dynamics and electronic and photocatalytic properties of pristine and twisted Janus PtSSe/BeP heterostructures for water splitting2

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  1. Advances in computational design of van der Waals heterostructures for photocatalytic water splitting

    Journal of Materials Chemistry A · 2025-01-01

    Ramandeep Singh, Pooja Jamdagni, Ashok Kumar, Kumar Tankeshwar, Ravindra Pandey

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  2. Tuning the electronic and optical properties of GDY/MoSSe and GDY/MoSeS heterostructures under external electric field

    Physica B Condensed Matter · 2025-07-29

    Tianhao Zhang, Sajjad Hussain, Changqi Chen, Songjie Meng, Kanghui Yao, Gui-Fang Du, Zongxian Yang, Zhansheng Lu

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  3. Direct type-II band alignment in CdO/GaSe vdW heterojunction: A DFT study for solar hydrogen production in broad pH range

    Chemical Physics Letters · 2025-09-11

    Lei Tian, Yizhe Liu, Jiahuan Hu, Min Peng, Chi Chen, Zhi Jackie Yao

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  4. The role of distinct metal cocatalysts in tuning β-ZrNBr for diverse photocatalytic applications

    Catalysis Science & Technology · 2026-01-01

    Ziyu Liu, Qianli Lin, Hao Dong, Xin Zhou

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  5. First-principles investigation on type-II band alignment of GeC/B 2 SSe van der Waals heterostructure for efficient photocatalytic water splitting

    Physica Scripta · 2026-02-18

    Xin Liu, Yingrong Chen, Xinyuan Li, Wei Yu

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  6. High solar-to-hydrogen efficiency S-scheme SnC/g-C6N6 van der Waals heterojunction for solar water splitting

    International Journal of Hydrogen Energy · 2026-05-29

    Zhuyuan Sheng, Zhengdong Sun, Junhao Zhu, Jiaxin Ma, Yingying Huang, M Zhang

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  7. Nitrogen-oxygen double vacancies induce C-W interactions at the g-C3N4-x NSs@Bi2WO6-x interface to construct stable Z-type heterojunctions for efficient activation of PMS to degrade ciprofloxacin

    Environmental Research · 2026-06-02

    Jinwen Sun, Minyang Xu, Wenting Wang, Jun Lan, Lei Yang, Shaobin Wang, Yongxiang Ren

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  8. Charge carrier dynamics and electronic and photocatalytic properties of pristine and twisted Janus PtSSe/BeP heterostructures for water splitting

    Physical review. B./Physical review. B · 2026-06-18

    Nidhi Verma, Ashok Kumar

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