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The discovery of metals as catalytic centers for nitrogen reduction reactions has stimulated great enthusiasm for single-atom catalysts. However, the poor activity and low selectivity of available SACs are far away from the industrial…

Materials Science · Physics 2022-12-28 Tingting Bo , Shiqian Cao , Nan Mu , Ruixin Xu , Yanyu Liu , Wei Zhou

Single-atom catalysts (SACs) have garnered significant interest due to their ability to reduce metal particles to the atomic scale, enabling finely tunable local environments and enhanced catalytic properties in terms of reactivity and…

Mesoscale and Nanoscale Physics · Physics 2025-03-13 G. S. Priyanga , S. K. Behera

Single-atom catalysts (SACs) with metal-nitrogen-carbon (M-N-C) structures are widely recognized as promising candidates in oxygen reduction reactions (ORR). According to the classical Sabatier principle, optimal 3d metal catalysts, such as…

Chemical Physics · Physics 2026-04-21 Di Zhang , Fangxin She , Jiaxiang Chen , Li Wei , Hao Li

Converting earth-abundant dinitrogen into value-added chemical ammonia is a significant yet challenging topic. Electrocatalytic nitrogen reduction reaction (NRR), compared with conventional Haber-Bosch process, is an energy-saving and…

Chemical Physics · Physics 2020-08-19 Yiran Ying , Ke Fan , Xin Luo , Haitao Huang

Electrocatalysts of nitrogen reduction reaction (NRR) have attracted ever-growing attention due to its application for renewable energy alternative to fossil fuels. However, activation of inert N-N bond requires multiple complex charge…

Materials Science · Physics 2022-04-20 Zheng Shu , Hejin Yan , Hongfei Chen , Yongqing Cai

Elucidating the catalytic descriptor that accurately characterizes the structure-activity relationships of typical catalysts for various important heterogeneous catalytic reactions is pivotal for designing high-efficient catalytic systems.…

Chemical Physics · Physics 2025-10-23 Zhen Zhu , Shan Gao , Jing Zhang , Xuxin Kang , Shunfang Li , Xiangmei Duan

Electrochemical nitrate reduction reaction(NO3RR)offers a sustainable route for ambient ammonia synthesis. While metal-nitrogen-carbon (M-N-C) single-atom catalysts have emerged as promising candidates for NO3RR, the structure-activity…

Chemical Physics · Physics 2026-04-21 Qiuling Jiang , Mingyao Gu , Tianyi Wang , Fangzhou Liu , Xin Yang , Di Zhang , Zhijian Wu , Ying Wang , Li Wei , Hao Li

Current research efforts on single-atom catalysts (SACs) exclusively focus on nonmetal or transition-metal atoms as active centers, while employing main-group metal elements is seemingly excluded because their delocalized s/p-bands are…

Materials Science · Physics 2021-11-18 Qian Wu , Baibiao Huang , Ying Dai , Thomas Heine , Yandong Ma

Ammonia NH3 is an important raw material for nitrogen fertilizer production and is widely used in industry. It is also a carbon free renewable fuel and an excellent hydrogen storage material. Reaction conditions of traditional Haber Bosch…

Chemical Physics · Physics 2021-12-08 Yuan Tian , Yanrong Liu , Hao Wang , Lei Liu , Wenping Hu

Ammonia, a versatile compound that can be used as a fertilizer, chemical or fuel, has since long been produced through the energy-intensive Haber-Bosch process. Recently, the electrochemical nitrate reduction reaction (NO3RR) using…

Ammonia, key precursor for fertilizer production, convenient hydrogen carrier and emerging clean fuel, plays a pivotal role in sustaining life on earth. Currently, the main route for NH3 synthesis is via the heterogeneous catalytic…

Single-atom catalysts (SACs) have attracted ever-growing interest due to their high atom-utilization efficiency and potential for cost-effective of hydrogen production. However, enhancing the hydrogen evolution reaction (HER) performance…

Materials Science · Physics 2025-03-11 Feng Sun , Xuqiang Zhang , Jiangtao Chen , Yun Zhao , Yan Li

The nitrogen reduction reaction (NRR), as an efficient and green pathway for ammonia synthesis, plays a crucial role in achieving on-demand ammonia production. This study proposes a novel design concept based on dual-iron atomic sites and…

Materials Science · Physics 2025-03-06 Zhe Zhang , Wenxin Ma , Jiajie Qiao , Xiaoliang Wu , Shaowen Yu , Weiye Hou , Xiang Huang , Rubin Huo , Hongbo Wu , Yusong Tu

Nitrate reduction to ammonia has attracted much attention for nitrate (NO3-) removal and ammonia (NH3) production. Identifying promising catalyst for active nitrate electroreduction reaction (NO3RR) is critical to realize efficient…

Materials Science · Physics 2023-08-29 Zheng Shu , Hongfei Chen , Xing Liu , Huaxian Jia , Hejin Yan , Yongqing Cai

Developing single atom catalysts (SACs) for chemical reactions of vital importance in renewable energy sector has emerged as a need of the hour. In this perspective, transition metal based SACs with monolayer phosphorous (phosphorene) as…

Materials Science · Physics 2020-03-13 Akhil S. Nair , Rajeev Ahuja , Biswarup Pathak

The nitrogen (N2) reduction reaction (NRR) is an eco-friendly alternative to the Haber-Bosch process to produce ammonia (NH3) with high sustainability. However, the significant magnitude of uphill energies in the multi-step NRR pathways is…

Great enthusiasm in single atom catalysts (SACs) for the N2 reduction reaction (NRR) has been aroused by the discovery of Metal (M)-Nx as a promising catalytic center. However,the performance of available SACs,including poor activity and…

Materials Science · Physics 2020-09-15 Xingshuai Lv , Wei Wei , Baibiao Huang , Ying Dai , Thomas Frauenheim

Nanocarbons are an important class of energy materials and one relevant application is for the nitrogen reduction reaction, i.e., the direct synthesis of NH3 from N2 and H2O via photo- and electrocatalytic approaches. Ammonia is also a…

Materials Science · Physics 2022-05-12 Gabriele Centi , Siglinda Perathoner

Ammonia, a crucial component in fertilizers and fuels, is currently produced by the energy-intensive Haber-Bosch process. However, due to the high upfront investments required for large-scale centralized production, alternative routes for…

M-N-C single-atom catalysts (SACs) have emerged as a potential substitute for the costly platinum-group catalysts in oxygen reduction reaction (ORR). However, several critical aspects of M-N-C SACs in ORR remain poorly understood, including…

Chemical Physics · Physics 2023-12-27 Di Zhang , Zhuyu Wang , Fangzhou Liu , Peiyun Yi , Linfa Peng , Yuan Chen , Li Wei , Hao Li
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