The tunable interface charge transfer by polarization in two dimensional polar Al2O3/MoSO heterostructures

Xinli Wang, Juping Xu, Peng-Fei Liu, Bao-Tian Wang and Wen Yin

J. Mater. Chem. A, 2023, 11, 10628
DOI: 10.1039/D3TA01479G

Interfacial electronic and defect engineering coupling of S-scheme CsSnBr3/SnSx (x = 1, 2) heterostructures with carrier dynamics for solar cells

Minjie Zhang, Ningning Yao, Yanming Lin, Zhenyi Jiang and Aijun Du

J. Mater. Chem. A, 2024, 12, 28771
DOI: 10.1039/D4TA05528D

High-performance photoelectric and self-powered properties of a p–n GaSe/SnS2 heterojunction by a built-in electric field

Dongxiang Li, Ruiqin Li and Yongting Zhao

J. Mater. Chem. C, 2025, 13, 20690
DOI: 10.1039/D5TC02357B

Tunable Z-scheme photocatalytic activity in Sc2CBrX/MoTe2 (X = Br, Cl) heterostructures: a combined electronic and non-adiabatic dynamics study

Yuan-Yuan Cheng, Xiao-Ting Li, Chuan-Lu Yang, Xiaohu Li, Wenkai Zhao, Yuliang Liu and Feng Gao

J. Mater. Chem. A, 2025, 13, 37385
DOI: 10.1039/D5TA05410A

Monolayer C60 networks: a first-principles perspective

Bo Peng and Michele Pizzochero

Chem. Commun., 2025, 61, 10287
DOI: 10.1039/D5CC02473K

Theoretical investigation of an arsenene/g-C6N6 van der Waals heterojunction: a direct Z-scheme system with high photocatalytic efficiency

Zhengdong Sun, Jiaxin Ma, Junhao Zhu, Yifei Shen, Xiao Wang, Meng Zhang and Kaiyi Zhen

Phys. Chem. Chem. Phys., 2025, 27, 6473
DOI: 10.1039/D5CP00081E

High-throughput computation and machine learning screening of van der Waals heterostructures for Z-scheme photocatalysis

Xiaoqing Liu, Yifan Li, Xiuying Zhang, Yi-Ming Zhao, Xian Wang, Jun Zhou, Jiadong Shen, Miao Zhou and Lei Shen

J. Mater. Chem. A, 2025, 13, 5649
DOI: 10.1039/D4TA07683D

Ferroelectric polarization promotes a CdS/In2Se3 heterostructure for photocatalytic water splitting

Minglei Jia, Chao Jin, Baoshan Wang and Bing Wang

Phys. Chem. Chem. Phys., 2024, 26, 16637
DOI: 10.1039/D3CP05551E

Enhancing the activity and stability of Cu2O nanorods via coupling with a NaNbO3/SnS2 heterostructure for photoelectrochemical water-splitting

Shalini Tiwari, Priyanka Yadav and Ashok K. Ganguli

New J. Chem., 2023, 47, 6294
DOI: 10.1039/D3NJ00684K

A direct Z-scheme photocatalyst PtS2/HfGe2N4 van der Waals heterostructure for highly efficient water splitting: first-principles study

Wen Qiao, Xinzhuo Zhang, Shiming Yan, Ru Bai and Tiejun Zhou

CrystEngComm, 2024, 26, 6336
DOI: 10.1039/D4CE00956H

Arsenene/PtO2 heterojunction: a potential Z-scheme photocatalyst with tunable electronic properties and efficient catalytic activity

Wentao Luo, Jiaxin Wang, Xing Wei, Yan Zhang, Yun Yang, Jian Liu, Ye Tian, Ziyuan Li, Shijie Wei and Li Duan

Catal. Sci. Technol., 2024, 14, 6085
DOI: 10.1039/D4CY00681J

Electrical field and biaxial strain tunable electronic properties of the PtSe2/Hf2CO2 heterostructure

Ruizhe Xia, Yi Peng, Li Fang and Xuan Meng

RSC Adv., 2023, 13, 26812
DOI: 10.1039/D3RA04363K

Design and performance of a promising Z-scheme photocatalyst: a BP/PtO2 heterojunction for efficient water splitting

Tiantian Guo, Qianli Ma, Xing Wei, Yan Zhang, Jian Liu, Ye Tian and Li Duan

New J. Chem., 2025, 49, 15173
DOI: 10.1039/D5NJ02582F

Synergistically triggering macroscopic polarization and dynamic reconfiguration of CdS@SnS2 heterojunction to enhance piezo-photocatalytic nitrate reduction

Xiaoxu Deng, Yi Wang, Jiwen Zhang, Xingyong Gong, Ruirui Cui, Peng Chen and Chaoyong Deng

Composites Part B: Engineering, 2025, 293, 112108
DOI: 10.1016/j.compositesb.2024.112108

S-scheme GeC/SnS2 heterojunction as an overall water splitting photocatalyst with ultra-high solar-to-hydrogen efficiency

Chengdong Hou, Qiang Ke and Xueling Lei

International Journal of Hydrogen Energy, 2025, 139, 818
DOI: 10.1016/j.ijhydene.2025.05.299

Photocatalytic Z-scheme overall water splitting for hydrogen generation with Sc2CCl2/ML (ML = MoTe2, Hf2CO2) heterostructures

Xiao-Ting Li, Chuan-Lu Yang, Wen-Kai Zhao and Yu-Liang Liu

International Journal of Hydrogen Energy, 2024, 59, 214
DOI: 10.1016/j.ijhydene.2024.01.287

Two-dimensional C20-based monolayers and heterostructures for photocatalytic overall water splitting

Miao Liu, Chuan-Lu Yang, Xiaohu Li, Li-Bo Zhan and Yongqing Li

npj 2D Mater Appl, 2025, 9
DOI: 10.1038/s41699-025-00545-5

The Isoelectronic Dopant in the Z-Scheme SnS2/β-As Heterostructure Enhancing Photocatalytic Overall Water Splitting

Xuefeng Chen, Wenna Han, Qian Yue, Qingmin Zhang, Yong Liang, Chengxiao Peng and Huabing Yin

Inorg. Chem., 2023, 62, 17954
DOI: 10.1021/acs.inorgchem.3c02850

Design and preparation of 1D-based S-scheme photocatalysts

Kaiqiang Xu, Wenjun Zhu, Mahmoud Sayed and Sheng Han

Chinese Journal of Catalysis, 2026, 83, 24
DOI: 10.1016/S1872-2067(26)64988-1

PtS2/g-C3N4 van der Waals heterostructure: A direct Z-scheme photocatalyst with high optical absorption, solar-to-hydrogen efficiency and catalytic activity

Yan Zhang, Hui Qiao, Zheng-Hua Yan, Li Duan, Lei Ni and Ji-Bin Fan

International Journal of Hydrogen Energy, 2023, 48, 14659
DOI: 10.1016/j.ijhydene.2022.12.329

S-scheme heterojunction photocatalysts based on 2D materials

Wang Wang, Bei Cheng, Guoqiang Luo, Jiaguo Yu and Shaowen Cao

Materials Today, 2024, 81, 137
DOI: 10.1016/j.mattod.2024.10.006

Facile construction of Z-scheme AgCl/Bi3TaO7 photocatalysts for effective removal of tetracycline under visible-light irradiation

Xiaoxin Guo, Jun Liu, Dan Li, Hongjun Cheng, Kankan Liu, Xiaoqing Liu and Tiansheng Liu

Environ Sci Pollut Res, 2023, 30, 62312
DOI: 10.1007/s11356-023-26323-8

Shining Light on ZnIn2S4 Photocatalysts: from Structural Tailoring to Energy Conversion Applications

Zhiyi Peng, Zhe Feng, Xiwen Cao, Yan Wang, Shiyan Wang and Longlu Wang

Advanced Sustainable Systems, 2025, 9
DOI: 10.1002/adsu.202500453

Monolayer Fullerene Networks as Photocatalysts for Overall Water Splitting

Bo Peng

J. Am. Chem. Soc., 2022, 144, 19921
DOI: 10.1021/jacs.2c08054

Arsenene/Ti2CO2 Heterojunction as a Promising Z‐Scheme Photocatalyst for Overall Water Splitting

Ling Hua, Youxi Wang and Zhenyu Li

Adv Funct Materials, 2024, 34
DOI: 10.1002/adfm.202408353

2D WSe2/MoSi2N4 type-II heterojunction with improved carrier separation and recombination for photocatalytic water splitting

Yonghui Liu, Zhuo Jiang, Jun Jia, John Robertson and Yuzheng Guo

Applied Surface Science, 2023, 611, 155674
DOI: 10.1016/j.apsusc.2022.155674

Two-dimensional PtI2/Bi2S3 and PtI2/Bi2Se3 heterostructures with high solar-to-hydrogen efficiency

Meng Ge, Chuan-Lu Yang, Mei-Shan Wang and Xiao-Guang Ma

Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2023, 666, 131286
DOI: 10.1016/j.colsurfa.2023.131286

SnC/PtS2 heterostructure: A promising direct Z-scheme photocatalyst with tunable electronic optical properties and high solar-to-hydrogen efficiency

Kanghao Liang, Jing Wang, Xing Wei, Yan Zhang, Yun Yang, Jian Liu, Ye Tian and Li Duan

International Journal of Hydrogen Energy, 2023, 48, 38296
DOI: 10.1016/j.ijhydene.2023.06.156

First-Principles Study on the Photocatalytic Performance of Janus MoSTe/XSe2 (X = Mo, W) van Der Waals Heterojunctions for Water Splitting

Siyan Wu, Haiying Zhang, Mingyi Zhang, Shaoying Yin and Lina Bai

J. Phys. Chem. C, 2025, 129, 20188
DOI: 10.1021/acs.jpcc.5c04905

Direct Z-scheme GaTe/SnS2 van der Waals heterojunction with tunable electronic properties: A promising highly efficient photocatalyst

Jiaxin Wang, Jinzhe Xuan, Xing Wei, Yan Zhang, Jibin Fan, Lei Ni, Yun Yang, Jian Liu, Ye Tian and Li Duan

International Journal of Hydrogen Energy, 2024, 54, 979
DOI: 10.1016/j.ijhydene.2023.11.180

MoSe2-WS2 Nanostructure for an Efficient Hydrogen Generation under White Light LED Irradiation

Tatiparti Padma, Dheeraj Kumar Gara, Amara Nadha Reddy, Surya Veerendra Prabhakar Vattikuti and Christian M. Julien

Nanomaterials, 2022, 12, 1160
DOI: 10.3390/nano12071160

Review on CdS-derived photocatalysts for solar photocatalytic applications – Advances and challenges

Irshad Ahmad, Samia Ben Ahmed, Maria Shabir, Muhammad Imran, Ahmed M Hassan and Naifa S. Alatawi

Journal of Industrial and Engineering Chemistry, 2024, 130, 105
DOI: 10.1016/j.jiec.2023.10.001

Efficient water splitting catalyst: Low-temperature selenization of Co and Ni hydroxide nanosheets on carbon cloth for enhanced electro-catalytic activity

Mehboob Hassan, Mirza Mahmood Baig, Sheraz Yousaf, Muhammad Faheem, Aftab Hussain, Basit Niaz, Farhan Ahmed Khan, Saba Aziz, Yameen Ahmed, Khalid Hussain Shah and Seung Goo Lee

Diamond and Related Materials, 2023, 139, 110298
DOI: 10.1016/j.diamond.2023.110298

Direct Z-scheme SnS2/InS heterostructure for efficient visible-light photocatalytic hydrogen evolution

Yifan Yang, Ning-Ci Zhou, Dong-Lan Zhang, Tong Chen, Cheng Gong, Ling-Ling Wang, Kejun Dong and Liang Xu

International Journal of Hydrogen Energy, 2025, 111, 95
DOI: 10.1016/j.ijhydene.2025.02.334

The g‐ZnO/Hf2CO2 vdW heterostructure: A novel two‐dimensional material for sunlight‐driven photocatalytic water splitting

Feng Miao, Jianling Zhao, Huiran Li, Junyu Li and Shiquan Feng

Int J of Quantum Chemistry, 2024, 124
DOI: 10.1002/qua.27377

Construction of Direct Z-Scheme WSe2/HfZrCO2 Heterostructure and First-Principles Investigation on Its Photocatalytic Properties for Water Splitting

Shiquan Feng, Jianling Zhao, Yifan Ma, Xiaodong Li, Feng Guo, Yang Yang, Luogang Xie, Xuerui Cheng and Chaosheng Yuan

J. Phys. Chem. C, 2026, 130, 611
DOI: 10.1021/acs.jpcc.5c06428

TeGa2S/SeMoTe Heterojunction: A Promising Z-Scheme Photocatalyst for Overall Water Splitting via a Four-Step Screening Approach

Fan Yang, Pascal Boulet and Marie-Christine Record

J. Phys. Chem. C, 2025, 129, 22514
DOI: 10.1021/acs.jpcc.5c05754

Two-dimensional MoSTe/MSi2N4 (M = Mo, W) van der Waals heterojunctions for photocatalytic water-splitting: A first-principles study

Haiying Zhang, Lina Bai, Mingyi Zhang and Xuejiao Zhou

International Journal of Hydrogen Energy, 2024, 86, 596
DOI: 10.1016/j.ijhydene.2024.08.337

ZnI2/SnS2 van der Waals heterojunction: A high-efficiency direct Z-type photocatalyst for overall water-splitting predicted from first-principles calculation

Yan Zhang, Shu-Zhuan Sun and Li Duan

Chemical Physics, 2025, 597, 112796
DOI: 10.1016/j.chemphys.2025.112796

Rational design of one inorganic-organic hybrid Z-scheme heterojunction for high-performance photocatalytic water splitting

Cun-biao Lin, Fu-li Sun, Jun Wen, Wen-xian Chen and Gui-lin Zhuang

Fuel, 2023, 341, 127682
DOI: 10.1016/j.fuel.2023.127682

A dual-functional single-atom modified SnS2/CdS S-scheme photocatalyst for synergistic hydrogen production and lactic acid oxidation: A DFT study

Chengcheng Yuan, Wei Xia, Jun Wang, Xiaofeng Zhu, Yong Zhang, Bicheng Zhu and Jiaguo Yu

Acta Physico-Chimica Sinica, 2026, 42, 100244
DOI: 10.1016/j.actphy.2026.100244

Synergistic lattice matching and architectural modulation in ZnO/BN heterostructures for enhanced photocatalytic properties

Fuxiong Ren, Zitian Liu, YuJia Lu, Yuan Gao, Shuai Zhang, Xia Feng, Li Chen and Yiping Zhao

Journal of Environmental Chemical Engineering, 2025, 13, 116692
DOI: 10.1016/j.jece.2025.116692

Advanced strategies for the synthesis and modulation of 2D layered heterostructures for energy conversion and storage applications

Waseem Raza, Attia Shaheen, Noureen Amir Khan, Ki Hyun Kim and Xingke Cai

Progress in Materials Science, 2024, 146, 101325
DOI: 10.1016/j.pmatsci.2024.101325

Study of direct Z-scheme water splitting photocatalytic Janus-WSSe/HfZrCO2 vdW heterostructures: First principles calculations

Shizhuo Wang, Yifan Ma, Xuechao Feng, Yang Yang, Luogang Xie and Shiquan Feng

Computational and Theoretical Chemistry, 2025, 1248, 115243
DOI: 10.1016/j.comptc.2025.115243

Direct Z-scheme Sc2CF2/SnS2 heterojunction with high solar-to-hydrogen efficiency for photocatalytic water splitting

Fuqiang Ai, Qingquan Xiao, Jianfeng Ye, Dahai Yu, Songguo Yu, Liqin Zhang, Quan Xie, Sheng Li and Xiaoping Wu

Journal of Environmental Chemical Engineering, 2025, 13, 119185
DOI: 10.1016/j.jece.2025.119185