Exploration of isoelectronic substitution in graphene dioxide for photocatalytic and photovoltaic applications – an ab-initio study

Santy M Thomas and P. Ravindran

Phys. Chem. Chem. Phys., 2024, 26, 18667
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Advances in computational design of van der Waals heterostructures for photocatalytic water splitting

Ramandeep Singh, Pooja Jamdagni, Ashok Kumar, K. Tankeshwar and Ravindra Pandey

J. Mater. Chem. A, 2025, 13, 27855
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In situ growth of ZnO/Ag2O heterostructures on PVDF nanofibers as efficient visible-light-driven photocatalysts

Chuanfeng Zang, Xiangye Han, Hao Chen, Haifeng Zhang, Yonggang Lei, Hongchao Liu, Chunxia Wang, Guangyu Zhang and Mingzheng Ge

Ceramics International, 2022, 48, 27379
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AlSb/ZrS2 heterojunction: A direct Z-scheme photocatalyst with high solar to hydrogen conversion efficiency and catalytic activity across entire PH range

Lijun Luan, Liuyang Han, Di Zhang, Kaiyang Bai, Kaili Sun, Changyan Xu, Long Li and Li Duan

International Journal of Hydrogen Energy, 2024, 51, 1242
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Unlocking efficient RhB degradation by silver nanowires and porous graphene doped MoTe2: Combined experimental and DFT insights

Afsah Mobeen Haider, Muhammad Ikram, Anwar Ul-Hameed, Ghafar Ali, Souraya Goumri-Said and Mohammed Benali Kanoun

Applied Surface Science Advances, 2025, 28, 100802
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2D Janus MoXSiN2 (X = S, Se, Te): Excellent Photocatalysts with Extremely High Energy Conversion Efficiency for Water Splitting

Hao An, Junjie Zeng, Zekai Yuan, Chunsheng Liu, Lan Meng and Xiaohong Yan

J. Phys. Chem. C, 2026, 130, 838
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A direct Z-scheme g-C6N6/InP van der Waals heterostructure: a promising photocatalyst for high-efficiency overall water splitting

Han Wenna, Chen Xuefeng, Jia Minglei, Ren Fengzhu, Peng Chengxiao, Yang Haigang, Gu Qinfen, Wang Bing and Yin Huabing

J. Phys. D: Appl. Phys., 2022, 55, 264001
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First-principles calculations of electronic, optical and thermoelectric properties of the Ge2SeS/GeSe van der Waals heterostructure

Hamza Rghioui, Mohamed Said Zyane, Adil Marjaoui, Mohamed Ait Tamerd, Mustapha Diani and Mohamed Zanouni

Physica E: Low-dimensional Systems and Nanostructures, 2024, 162, 115985
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Photocatalytic water splitting of polarized GeS/Zr2CO2 heterostructure by biaxial strain engineering

Wan Yu-Lu, Lu Pan, Zhao-Qi Wang, Cui-E Hu, Hua-Yun Geng and Xiang-Rong Chen

Materials Science in Semiconductor Processing, 2023, 167, 107799
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Polarization Electric Field in 2D Polar Monolayer Silicon Monochalcogenides SiX (X = S, Se) as Potential Photocatalysts for Water Splitting

Di Gu, Xingyuan Chen, Xiangfu Xu, Wen Qin, Xiaoma Tao, Yifang Ouyang and Weiling Zhu

Physica Rapid Research Ltrs, 2023, 17
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Vacancy-induced spontaneous H2 evolution by overall water splitting on MoTe2/Ti2CO2: A two-dimensional direct Z scheme heterostructure

Ahsiur Rahman Nirjhar, Sadika Jannath Tan-Ema, Miah Abdullah Sahriar, Md. Nazmul Ahsan Dipon, Mohd. Rakibul Hasan Abed, Daili Barroso Gainza, Anveeksh Koneru, Sadiq Shahriyar Nishat, Kazi Md. Shorowordi and Saquib Ahmed

International Journal of Hydrogen Energy, 2023, 48, 37273
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Electronic and Optical Properties of BP, InSe Monolayer and BP/InSe Heterojunction with Promising Photoelectronic Performance

Xingyong Huang, Qilong Cao, Mingjie Wan and Hai-Zhi Song

Materials, 2022, 15, 6214
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Enhanced Photocatalytic Activity of Two-Dimensional Polar Monolayer SiTe for Water-Splitting via Strain Engineering

Di Gu, Wen Qin, Sumei Hu, Rong Li, Xingyuan Chen, Xiaoma Tao, Yifang Ouyang and Weiling Zhu

Molecules, 2023, 28, 2971
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Overall Spontaneous Water Splitting for Calcium Bismuthate Ca(BiO2)2: Flexible-Electronic-Controlled Band Edge Position and Adsorption-Site-Modulated Bond Strength

Chang Liu, Songsong Sun, Qingmeng Hou, Yaning Song, Hongjing Wang, Yanju Ji, Yingbo Zhao, Hao Zhang and Yuanfeng Xu

Langmuir, 2024, 40, 2990
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First-principles study on SnC/GeS heterojunction as A direct Z-scheme photocatalyst for water splitting

Long Feng, Qingquan Xiao, Sheng Li, Fuqiang Ai, Liqin Zhang, Jianfeng Ye and Quan Xie

International Journal of Hydrogen Energy, 2025, 193, 152393
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Electronic structural and photocatalytic characteristics of GeS/MoS2 heterostructure via biaxial and vertical strains

Junping Xiao, Jinhua Li, Yuxin Sun and Huilin Zhang

Mater. Res. Express, 2026, 13, 055002
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Z-scheme Ag2O/ZnO heterostructure on carbon fibers for efficient photocatalysis of tetracycline

Simiao Chen, Li Zhang, Dalal A. Alshammari, Mahmoud M. Hessien, Wei Yu, Liansheng Cui, Juanna Ren, Zeinhom M. El-Bahy and Zhanhu Guo

Separation and Purification Technology, 2025, 354, 129414
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First-principles insights into the direct Z-scheme GeS/SiC van der Waals heterostructure for overall photocatalytic water splitting

Yan Zhang, Ying-Ying Jia and Li Duan

Chemical Physics, 2026, 607, 113184
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Photocatalytic Reforming Raw Plastic in Seawater by Atomically‐Engineered GeS/ZnIn2S4

Amin Talebian‐Kiakalaieh, Haobo Li, Meijun Guo, Elhussein M. Hashem, Bingquan Xia, Jingrun Ran and Shi‐Zhang Qiao

Advanced Energy Materials, 2025, 15
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Graphene Monoxide and Its Variants for Photocatalytic and Photovoltaic Applications─An Ab Initio Study

Santy M. Thomas and P. Ravindran

J. Phys. Chem. C, 2023, 127, 20594
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