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Catalysts, 2021, 11, 1529
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Construction of single-atom catalysts for electro-, photo- and photoelectro-catalytic applications: State-of-the-art, opportunities, and challenges

Jiexiang Xia, Bin Wang, Jun Di, Yingjie Li, Shi-Ze Yang, Huaming Li and Shaojun Guo

Materials Today, 2022, 53, 217
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Density functional theory study of nitrogen-doped black phosphorene doped with monatomic transition metals as high performance electrocatalysts for N2 reduction reaction

Xin Liu, Chenyin Li, Fang Xu, Guohong Fan and Hong Xu

Nanotechnology, 2022, 33, 245401
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Photocatalytic conversion of nitrogen to ammonia with water on triphase interfaces of hydrophilic-hydrophobic composite Bi4O5Br2/ZIF-8

Jianxin Liu, Rui Li, Xiang Zu, Xiaochao Zhang, Yunfang Wang, Yawen Wang and Caimei Fan

Chemical Engineering Journal, 2019, 371, 796
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Mo-doped boron nitride monolayer as a promising single-atom electrocatalyst for CO2 conversion

Qianyi Cui, Gangqiang Qin, Weihua Wang, Lixiang Sun, Aijun Du and Qiao Sun

Beilstein J. Nanotechnol., 2019, 10, 540
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Computational Design of Two-Dimensional Boron-Containing Compounds as Efficient Metal-free Electrocatalysts toward Nitrogen Reduction Independent of Heteroatom Doping

Wei Nong, Haikuan Liang, Shihan Qin, Yan Li and Chengxin Wang

ACS Appl. Mater. Interfaces, 2020, 12, 50505
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Computational evaluation of FeMo heteroatom coeffect induced high electroreduction activity of N2-to-NH3

Xing-Qi Han, Zhong-Ling Lang, Feng-Yi Zhang, Hong-Liang Xu and Zhong-Min Su

Applied Surface Science, 2022, 579, 152214
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Catalytic Performance of Two-Dimensional Bismuth Tuned by Defect Engineering for Nitrogen Reduction Reaction

Ye Yang, Junyao Li, Keqiu Chen, Qin-jun Chen and Yexin Feng

J. Phys. Chem. C, 2020, 124, 19563
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Density Functional Theory Study of Single-Atom V, Nb, and Ta Catalysts on Graphene and Carbon Nitride for Selective Nitrogen Reduction

Chunjin Ren, Qianyu Jiang, Wei Lin, Yongfan Zhang, Shuping Huang and Kaining Ding

ACS Appl. Nano Mater., 2020, 3, 5149
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Understanding the Mechanistic Pathways of N2 Reduction to Ammonia on (110) Facets of Transition Metal Carbides

Atef Iqbal, Egill Skúlason and Younes Abghoui

Crystals, 2024, 14, 770
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Single Atoms of Iron on MoS2 Nanosheets for N2 Electroreduction into Ammonia

Hongyang Su, Lanlan Chen, Yizhen Chen, Rui Si, Yuting Wu, Xiaonan Wu, Zhigang Geng, Wenhua Zhang and Jie Zeng

Angewandte Chemie, 2020, 132, 20591
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Advanced Electrocatalysts with Single-Metal-Atom Active Sites

Yuxuan Wang, Hongyang Su, Yanghua He, Ligui Li, Shangqian Zhu, Hao Shen, Pengfei Xie, Xianbiao Fu, Guangye Zhou, Chen Feng, Dengke Zhao, Fei Xiao, Xiaojing Zhu, Yachao Zeng, Minhua Shao, Shaowei Chen, Gang Wu, Jie Zeng and Chao Wang

Chem. Rev., 2020, 120, 12217
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Enhancing Catalytic Properties of Iron- and Nitrogen-Doped Carbon for Nitrogen Reduction through Structural Distortion: A Density Functional Theory Study

Weitao Shan and Guofeng Wang

J. Phys. Chem. C, 2021, 125, 16004
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Heterostructure design on honeycomb borophene/Mo2C: A novel strategy for nitrogen fixation

Tian Gao, Manqi Li, Domoina Holiharimanana, Zhenhua Liu, Zhao Wang and Hao Sun

Molecular Catalysis, 2024, 564, 114280
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Nitrogen reduction reaction enhanced by single-atom transition metal catalysts on functionalized graphene: A first-principles study

Thillai Govindaraja Senthamaraikannan and Dong-Hee Lim

International Journal of Hydrogen Energy, 2024, 72, 449
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Two-Dimensional Transition Metal Porphyrin Sheets as a Promising Single-Atom-Catalyst for Dinitrogen Electrochemical Reduction to Ammonia: A Theoretical Study

Shiqiang Liu, Yawei Liu, Xiaoping Gao, Yujia Tan, Zhiwen Cheng, Zhemin Shen and Maohong Fan

J. Phys. Chem. C, 2020, 124, 1492
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Transition Metal Diborides: A New Type of High‐performance Electrocatalysts for Nitrogen Reduction

Gangqiang Qin, Qianyi Cui, Aijun Du, Weihua Wang and Qiao Sun

ChemCatChem, 2019, 11, 2624
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Theoretical screening of highly efficient single-atom catalysts for nitrogen reduction based on a defective C3N monolayer

Yibo Chen, Xinyu Zhang, Jiaqian Qin and Riping Liu

International Journal of Hydrogen Energy, 2022, 47, 5292
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Alternatives methods for sustainable ammonia production – Overview and perspectives

Lauren Oleksy, Moses Adejumo and Simona Liguori

Sustainable Energy Technologies and Assessments, 2026, 87, 104894
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