The GaN/MgAl2S4 heterojunction: an excellent candidate material for photodetectors

Xiangfeng Qi, Enling Li, Yang Shen, Ke Qin, Xiaoyu Zhao, Deming Ma and Zhen Cui

J. Mater. Chem. C, 2025, 13, 23044
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g-ZnO/Si9C15: a S-scheme heterojunction with high carrier mobility for photo-electro catalysis of water splitting

Yang Shen, Zhihao Yuan, Zhen Cui, Deming Ma, Pei Yuan, Fengjiao Cheng, Kunqi Yang, Yanbo Dong and Enling Li

Phys. Chem. Chem. Phys., 2024, 26, 5569
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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
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Enhanced photoelectric properties and solar to hydrogen efficiency of S-scheme h-BP/C3B heterojunctions through the dual electric field effect

Rui-qin Li, Dong-xiang Li and Wan-jun Yan

J. Mater. Chem. A, 2025, 13, 22710
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Engineering half-metallicity in wurtzite Zn1−2xMnxAxS (A = Mo, Ni) for enhanced optoelectronic and thermoelectric performance: a DFT study

W. Amghar, A. Fakhim Lamrani, K. Sadki, F. E. EL Mabchour, E. Maskar, A. El hat, S. Otmani and R. Ahl Laamara

RSC Adv., 2026, 16, 1622
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A GaN/HfZrCO2 heterojunction with excellent photoresponse and superior hydrogen evolution reaction performance

Zhuo Diao, Zhen Cui and Shuang Zhang

Phys. Chem. Chem. Phys., 2026
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InP/PtS2 heterojunctions: Z-scheme photocatalysts with enhanced light absorption for high solar-to-hydrogen conversion efficiency

Mengya Li, Kanghao Liang, Xing Wei, Yan Zhang, Huaxin Chen, Yun Yang, Jian Liu, Ye Tian, Ziyuan Li and Li Duan

International Journal of Hydrogen Energy, 2024, 81, 447
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Direct Z-scheme Janus Kagome van der Waals heterostructures for enhanced visible-light-driven photocatalytic water splitting

Muhammad Irshad khan, Syed Zafar Ilyas, Ather Hassan and Azeem Ghulam Nabi

International Journal of Hydrogen Energy, 2026, 200, 152905
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Highly Sensitive and Selective Defect WS2 Chemical Sensor for Detecting HCHO Toxic Gases

Zhen Cui, Hanxiao Wang, Kunqi Yang, Yang Shen, Ke Qin, Pei Yuan and Enling Li

Sensors, 2024, 24, 762
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The O-Defective g-ZnO Sensor for VOC Gases: The Adsorption–Desorption, Electronic, and Sensitivity Properties

Yang Shen, Pei Yuan, Zhihao Yuan, Zhen Cui, Deming Ma, Fengjiao Cheng, Ke Qin, Hanxiao Wang and Enling Li

Langmuir, 2024, 40, 17396
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Novel Two-dimensional Tellurophosphates: Visible Light Photocatalysts for Water Splitting and Carbon Dioxide Reduction

Sajid Ur Rehman, Haris Habib, Zeeshan Tariq, Hafiz Muhammad Naeem Ullah, Faheem K. Butt, Xiaoming Zhang and Chuanbo Li

Surfaces and Interfaces, 2024, 54, 105255
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The g-ZnO/PtSe2 S-scheme heterojunction with controllable band structure for catalytic hydrogen production

Yang Shen, Zhihao Yuan, Zhen Cui, Deming Ma, Pei Yuan, Fengjiao Cheng, Kunqi Yang, Yanbo Dong and Enling Li

International Journal of Hydrogen Energy, 2024, 56, 807
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Hexagonal Janus Zn2XY (X=S, Se; Y Se, Te; X≠Y) monolayers: A high-performance photocatalyst for water splitting

Xinzhu Tan, Qian Chen, Yongchao Liang, Zean Tian, Tinghong Gao and Quan Xie

International Journal of Hydrogen Energy, 2024, 51, 222
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Rational Design of Two-Dimensional BC2N Nanomesh Membranes for Light Gas Separation: A Mechanistic Insight

Jingyu Wang, Dachang Chen, Siyuan Zhou, Song Xiao and Beibei Xiao

Journal of Membrane Science, 2026, 125467
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MoSe2 and WSSe heterojunction with exceptional power conversion efficiency and photogalvanic effect

Zhen Cui, Hanxiao Wang, Yang Shen, Ke Qin, Pei Yuan and Enling Li

Materials Today Physics, 2024, 40, 101317
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GaN/Sc2CF2 heterostructure photodetector with exceptional polarization sensitivity

Zhen Cui, Guoqing Zhang, Shuang Zhang and Lu Wang

Micro and Nanostructures, 2024, 193, 207922
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Theoretical insights into the multifunctionality of ZnO/ZrSn2N4 heterojunctions: From photocatalysis to photodetection

Yang Shen, Xiaoyu Zhao, Zhen Cui, Ke Qin, Deming Ma, Fengjiao Cheng, Pei Yuan, Xiangfeng Qi and Enling Li

Surfaces and Interfaces, 2025, 72, 107073
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Single-layer GaInS3: Water-splitting photocatalyst with high solar conversion efficiency and long carrier lifetime from first-principles investigation

Zhi Long, Yi Xiang, Guo-Zhen Zhang, Xi Qin, Song Wu, Wen-Hao Song, Xing-Ming Liu, Jie Cheng, Li-Li Liu, Shi-Fa Wang, Yong Wei, Lei Hu, Xiang-Kai Deng, Chun-Ming Yang and Xing Zou

International Journal of Hydrogen Energy, 2024, 62, 250
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Novel two-dimensional Li-functionalized porous BC2N monolayer for efficient hydrogen storage

Jingyu Wang, Dachang Chen, Song Xiao, Xiaoxing Zhang and Beibei Xiao

Journal of Energy Storage, 2026, 145, 119942
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First principles study on electronic, optical and catalytic properties of designed Zr-doped structures based on Hf2CO2

Shiquan Feng, Jianling Zhao, Yang Yang, Luogang Xie, Xiaodong Li, Xuerui Cheng, Zheng Wang and Yongfu Liang

Journal of Molecular Structure, 2024, 1308, 137991
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WS2 and WSSe bilayer with excellent carrier mobility and power conversion efficiency

Zhen Cui, Kunqi Yang, Yang Shen, Zhihao Yuan, Yanbo Dong, Pei Yuan and Enling Li

Materials Science in Semiconductor Processing, 2023, 167, 107820
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β-Silicon germanane nanosheets as potential sensors for greenhouse gases hexafluoroethane and nitrogen trifluoride based on first-principles study

M.S. Jyothi, V. Nagarajan, R. Bhuvaneswari and R. Chandiramouli

Chemical Physics, 2026, 607, 113185
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Hf2CO2-based heterojunctions for efficient photocatalytic hydrogen production and highly responsive self-powered flexible photodetector

Ke Qin, Enling Li, Yang Shen, Deming Ma, Pei Yuan, Hanxiao Wang and Zhen Cui

Ceramics International, 2024, 50, 42146
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The effect of biaxial strain on the optoelectronic properties of a single-layer 2H-GaS system with S vacancies

Zilian Tian, Lu Yang, Jianlin He, Huaidong Liu, Xiaotong Yang, Hang Yang, Yao Dong and Wei Zhao

Surface Science, 2025, 756, 122726
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Janus monolayer Bi8M2O16XY (M = Nb, Ta; X/Y = Cl, Br, I; X ≠ Y) for photocatalytic overall water splitting with high carrier mobility: A first principles study

Kang Xu, Zhenhua Li, Xin Li, Ran Jia, Zhiqiang Wang, Xiaodi Huo, Dongyan Cao, Chunling Wang and Lei Xu

Chemical Physics Letters, 2025, 863, 141906
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Superior carrier mobility and photogalvanic effect of Si9C15 and WSSe heterojunctions

Haotian Meng, Zhen Cui, Pengfei Wu, Shuang Zhang and Lu Wang

Materials Today Communications, 2025, 46, 112830
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The electronic and optical properties of non-metallic doped g-C3N4/MoS2 heterojunction

Yang Shen, Pei Yuan, Zhihao Yuan, Zhen Cui, Deming Ma, Fengjiao Cheng, Kunqi Yang, Yanbo Dong and Enling Li

Physica B: Condensed Matter, 2024, 674, 415583
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Design of a direct Z-scheme GeC/arsenene van der Waals heterostructure as highly efficient photocatalysts for water splitting

Zhi-Bo Qiang, Yan Zhang, Jian-Xin Ding, Kang-Xin Xie, Hafsa Nouguiza, Hua-Xin Chen, Li Duan, Ji-Bin Fan and Lei Ni

International Journal of Hydrogen Energy, 2024, 51, 809
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Enhanced photocatalytic and piezoelectric properties in SbNO/blue phosphorene heterostructures

Wen-Yi Li, Yong-Xue Du, Meng Zhou, Jia-He Lin and Tian Zhang

Solar Energy, 2026, 305, 114226
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Strain-induced band gap modulation in Type-II CdO/AlSe heterostructure for enhanced photocatalytic water splitting

Dong Fan, Maoye Yin, Xiangyang Tan, Hengshuai Li, Haiquan Hu, Zhaogang Nie, Feng Guo, Zhenbao Feng, Jun Li, Zhihao Wang, Dong Zhang, Minghui Zhu, Keyuan Wang and Fei Wang

International Journal of Hydrogen Energy, 2025, 112, 493
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First-principles study on electrical and optical properties of two-dimensional GaN/AlGaN heterostructures

Jianwei He, Jian Tian and Lei Liu

Mod. Phys. Lett. B, 2024, 38
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2D polymorphic boron carbon nitrides: Stability, electronic property, light absorption, and excitonic characteristics

Yuqing Dong and Huabing Shu

Materials Today Physics, 2025, 59, 101915
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Direct Z-scheme construction of C2N/Mg(OH)2 heterojunction and first-principles investigation of photocatalytic water splitting

Jiabin Wang, Nan Zhang, Yanhui Wang, Hongsheng Zhao, Huanming Chen, Hongtao Zeng, Leijie Zhao, Qian Yang and Bingyin Feng

International Journal of Hydrogen Energy, 2024, 53, 247
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First-principles study of a novel type-II As2C3/MoSi2N4 heterostructure with high carrier mobility in photocatalytic water splitting

Jialong Mo, Li Li, Xiaodie Li, Xinyi Yao, Xia Xiang and Xiaotao Zu

International Journal of Hydrogen Energy, 2025, 100, 982
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First-principles investigation on electronic and photocatalytic behavior of GaSe1-xTex/MoS2 heterojunction

Jianjun Liu, Li Feng, Kai Ma and Yutian Ding

Chemical Physics, 2024, 579, 112165
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First-principles study on structural, electronic, optical and photovoltaic properties of Sc2C-based Janus MXenes for solar cell applications

Swarup Ghosh, Md. Akhtaruzzaman and M.M. Uddin

Materials Today Communications, 2025, 48, 113524
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First-principles study on the electronic properties and feasibility of photocatalytic water splitting on Z-scheme GaN/MoS2 heterostructure

Yuzhi Yi, Rui Zhou, Fangfang Zhuang, Xiaojun Ye, Hongbo Li, Guoqiang Hao and Rui Zhang

Journal of Physics and Chemistry of Solids, 2024, 190, 112006
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Strain driven modulations in electronic, optical properties and photovoltaic efficiencies of 2D AH (A = Si, Ge) monolayers: An account from first-principles study

Rati Ray Banik, Swarup Ghosh and Joydeep Chowdhury

Physica B: Condensed Matter, 2025, 715, 417559
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Two-dimensional GaN-SnX/X2 (X=S, Se) heterostructures: A promising visible light driven photocatalysts for overall water splitting

Haris Habib, Houda El Hyani, Sajid Ur Rehman and Ke-Fan Wang

International Journal of Hydrogen Energy, 2025, 191, 152264
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2D Janus piezoelectric iridium trihalide Ir2X3Y3 with potential application in photocatalysts for water splitting

Ying-Xue Feng and Wen-Zhi Xiao

Chemical Physics, 2024, 579, 112181
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Direct Z-scheme MoSTe/g-GeC heterostructure for photocatalytic water splitting: A first-principles study

Deming Ma, Huan Li, Jiahao Wang, Jinchi Hu, Xiaoyu Yang, Yuhui Fu, Zhen Cui and Enling Li

International Journal of Hydrogen Energy, 2024, 51, 1216
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Superior light response and polarization sensitivity of GaN/Hf2CO2 heterojunction

Guoqing Zhang, Zhen Cui, Shuang Zhang and Lu Wang

Journal of Physics and Chemistry of Solids, 2026, 208, 113034
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Cu2Se/SeIn2S van der Waals heterostructure: A direct Z-scheme efficient photocatalyst for solar-driven overall water splitting driven by an enhanced electric field

Wuyi Gao, Lei Gao, Qiyun Deng, Yufei Xue, Qingyan Li, Jianchen Lu and Jinming Cai

Applied Surface Science, 2025, 695, 162807
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Electrical Properties and Current-Illumination Characteristics of the SiC/GaN Lateral Heterostructure

Enling Li, Ke Qin, Zhen Cui, Yang Shen, Deming Ma, Pei Yuan and Hanxiao Wang

J. Phys. Chem. C, 2024, 128, 11827
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High carrier mobility and polarization sensitivity of AlN/Hf2CO2 heterojunction photodetector

Zhen Cui, Xin Gao, Shuang Zhang and Lu Wang

Chinese Journal of Physics, 2024, 91, 421
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Tuning optical and electronic properties of In2Se3/Cd3C2 and In2Se3/Hg3C2 vdWHs by vertical and biaxial strains

Jing-Kun Hu, Zhi-Qiang Fan and Jun-Bo Yang

Journal of Physics and Chemistry of Solids, 2026, 210, 113344
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Emerging two-dimensional superconductors TiB3C and Ti2B3C2 with monolayer kagome borophene

Honggang Li, Fanjunjie Han, Jiahui Wei, Ting Zhong, Jiance Sun, Yiming Zhang, Meiling Xu, Yinwei Li and Shoutao Zhang

Applied Surface Science, 2025, 686, 162140
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A First-Principle Study of Two-Dimensional Boron Nitride Polymorph with Tunable Magnetism

Liping Qiao, Zhongqi Ma, Fulong Yan, Sake Wang and Qingyang Fan

Inorganics, 2024, 12, 59
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Promising two dimensional XSe2/SnS (X= Pt, Zr, Hf) vdW heterostructures for overall water splitting with higher carrier mobilities

Zeeshan Tariq, Haris Habib, Sajid Ur Rehman, Hafiz Muhammad Naeem Ullah, Ali Tariq, Faheem K. Butt, Chuanbo Li and Xiaoming Zhang

International Journal of Hydrogen Energy, 2024, 87, 669
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Adsorption of metals on Si9C15 monolayer for optoelectronic applications

Zhen Cui, Yangyang Lyu, Renyuan Li and Pengfei Wu

Vacuum, 2023, 217, 112565
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Direct S-scheme SnS2/BN heterojunction: A promising photocatalyst for overall water splitting

Yonghui Du, Shuangshun Cai, Beizheng Xu, Tongxiao Yang, Zeyu Lin, Xingyu Chen and Hong Chen

Applied Surface Science, 2025, 695, 162887
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Revealing the intrinsic nature of Eu-doped lead phosphate: A study using density functional theory

Aldimar Machado Rodrigues, Willian Oliveira Santos, Jocelia Silva Machado Rodrigues, Erico Raimundo Pereira de Novais, Glaura Caroena Azevedo de Oliveira, Andrea de Lima Ferreira Novais and Divanizia do Nascimento Souza

Physica B: Condensed Matter, 2023, 666, 415104
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A novel two-dimensional GaN/InGaN heterostructure for photocatalytic water splitting: A first-principles calculation

Xiaodong Hao, Qiheng Ma, Xishuo Zhang, Jiahui Wang, Yuhao Zhou, Yang Xu, Shufang Ma and Bingshe Xu

Next Materials, 2024, 2, 100063
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Structural, Non-linear optical response and ultraviolet transparency of superalkalis (Li3O, Na3O, K3O)-doped bowel shape silicon carbide nanoclusters

Naveen Kosar, Sana Noreen, Khurshid Ayub, Muhammad Imran and Tariq Mahmood

Inorganic Chemistry Communications, 2023, 157, 111328
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Theoretical review of photogenerated carrier dynamics in two-dimensional semiconductors

Tingbo Zhang, Xianghong Niu, Jian Hao and Yinwei Li

J. Phys.: Condens. Matter, 2026, 38, 033001
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Self-Powered Photodetector with High Photocurrent and Polarization Sensitivity Based on the GaN/CdO Heterostructure

Enling Li, Ke Qin, Yang Shen, Deming Ma, Pei Yuan, Hanxiao Wang and Zhen Cui

J. Phys. Chem. C, 2025, 129, 7520
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Adsorption behavior and sensing performance of VOCs on monolayer XC (X=Ge, Si)

Meng Guo, Taifei Zhao and Zhen Cui

Surfaces and Interfaces, 2024, 51, 104607
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Two-Dimensional Janus XY (X/Y=P, As, Sb, Bi, X≠Y) material with excellent piezoelectricity and carrier mobility for Visible-Light water splitting

Tie Zhang, Jia-He Lin, Meng Zhou, Xiao Jia and Tian Zhang

Solar Energy, 2024, 280, 112848
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Electronic properties by polarization-inducing of the F-GaN-H/SiC van der Waals hetero-structures

Enling Li, Ke Qin, Fangping Wang, Zhen Cui, Yang Shen, Deming Ma, Pei Yuan and Hanxiao Wang

Vacuum, 2024, 221, 112846
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Vertical heterojunction photodetector of In2Se3/PtS2 with high polarization sensitivity and tunable electronic characteristics

Yue Wang, Zhen Cui and Chunli Zhang

Materials Today Communications, 2024, 40, 109857
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Unlocking the anodic potential of BC2N/graphene heterostructure for sustainable Non-Li-Ion batteries

Xiaowai Zhang, Ying Cao, Mohib Ullah, Damia Tehseen, Tahani A. Alrebdi and Javed Rehman

Materials Science and Engineering: B, 2026, 328, 119361
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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
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Direct Z-scheme SnC/InP heterostructure photocatalyst for overall water-splitting with broad optical absorption and strong catalytic activity

Yan Zhang, Yong-Sen Yang, Yu-Fei Luo, Jia-Hui Li, Shu-Zhuan Sun and Li Duan

Chemical Physics, 2025, 595, 112720
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High-efficiency photocatalyst and high-response ultraviolet photodetector based on the Ga2SSe@GaN heterojunctions

Ke Qin, Enling Li, Yang Shen, Deming Ma, Pei Yuan, Hanxiao Wang and Zhen Cui

Surfaces and Interfaces, 2024, 52, 104996
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Computational study reveals the exceptional photocatalytic water splitting performance of two-dimensional Janus Kagome lattice Nb3TeCl7

Wen-yu Fang, Sheng-an Chen, Kai Jin and Chun-jing Liu

International Journal of Hydrogen Energy, 2025, 129, 291
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Janus TaOClBr monolayer: A promising multifunctional material with high solar-to-hydrogen efficiency and strong anisotropic thermoelectric performance

Lu Pan, Qing Lu, Zhiqiang Zeng, Yu Gao and Futi Liu

Journal of Applied Physics, 2025, 138
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