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Single atom catalysts (SACs) present the ultimate level of catalyst utilization, which puts them in the focus of current research. For this reason, their understanding is crucial for the development of new efficient catalytic systems. Using…

Materials Science · Physics 2021-01-11 Aleksandar Z. Jovanović , Slavko V. Mentus , Natalia V. Skorodumova , Igor A. Pašti

Single-atom metal alloy catalysts (SAACs) have recently become a very active new frontier in catalysis research. The simultaneous optimization of both facile dissociation of reactants and a balanced strength of intermediates' binding make…

Materials Science · Physics 2021-04-14 Zhong-Kang Han , Debalaya Sarker , Runhai Ouyang , Yi Gao , Sergey V. Levchenko

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 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

Ammonia (NH3) is mainly produced through the traditional Haber-Bosch process under harsh conditions with huge energy consumption and massive carbon dioxide (CO2) emission. The nitrogen electroreduction reaction (NERR), as an…

Mesoscale and Nanoscale Physics · Physics 2020-02-18 Yanling Zhai , Zhijun Zhu , Chengzhou Zhu , Kyle Chen , Xueji Zhang , Jing Tang , Jun Chen

Electrode-potential-induced dynamic coordination is an essential factor governing the performance of graphene-embedded single-atom catalysts (SACs). While previous studies have primarily centered on structural dynamics at the metal site,…

Materials Science · Physics 2026-02-05 Jiahang Li , Suhang Li , Chong Yan , Qinzhuang Liu , Jiajun Yu , Dongwei Ma

Single-atom catalysts (SACs) are rapidly developing in various application areas, including electrocatalysis of different reactions, usually taking place under harsh pH-electrode potential conditions. Thus, a full atomic-level understanding…

Materials Science · Physics 2021-11-30 Ana S. Dobrota , Natalia V. Skorodumova , Slavko V. Mentus , Igor A. Pašti

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

Recent advances in nanomaterials have pushed the boundaries of nanoscale fabrication to the limit of single atoms (SAs), particularly in heterogeneous catalysis. Single atom catalysts (SACs), comprising minute amounts of transition metals…

The reduction reaction of turning Cr(VI) into Cr(III) by appropriate oxidants together with nanoscale catalysts in contaminated soil and water received significant amount of attention for its environmental benefits. Single-atom catalysts…

Chemical Physics · Physics 2022-09-20 Jianglu Ping , Haojun Jia

Two-dimensional materials supported by single atom catalysis (SACs) are foreseen to replace platinum for large-scale industrial scalability of sustainable hydrogen generation. Here, a series of metal (Al, Sc, Ti, V, Cr, Mn, Fe, Ni, Cu, Zn)…

Materials Science · Physics 2022-11-04 M. V. Jyothirmai , D. Roshini , B. Moses Abraham , Jayant K. Singh

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

Over the past decade, extensive research into single-atom catalysts (SACs) has revealed that the catalytic behavior of metal adatoms is highly dependent on how they interact with their support. A strong dependence on the local coordination…

Materials Science · Physics 2025-01-09 Gareth S. Parkinson

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

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

Understanding the fundamental mechanisms of single-atom catalysis (SAC) is important to design systems with improved performance and stability. This is problematic, however, because single-atom active sites are extremely difficult to…

Materials Science · Physics 2017-06-30 Gareth S. Parkinson

Single-Atom Alloys (SAAs) are a special class of alloy surface catalysts that offer well defined, isolated active sites in a more inert metal host. The dopant sites are generally assumed to have little or no influence on the properties of…

Single-atom catalysts (SACs) maximize atom efficiency and exhibit unique electronic structures, yet realizing precise and scalable atomic dispersion remains a key challenge. Here, we report a non-equilibrium strategy for the scalable…

Materials Science · Physics 2026-01-21 Yue Li , Yang Xu , Yunbiao Zhao , Mingwei Cui , Xiner Chen , Liu Qian , Jin Zhang , Xueting Feng , Ziqiang Zhao

Sodium, magnesium and aluminum adatoms, which, respectively, possess one, two and three valence electrons in terms of 3s, $3s^2$, and ($3s^2$, 3p) orbitals, are very suitable for helping us understand the adsorption-induced diverse…

Materials Science · Physics 2020-03-06 Ngoc Thanh Thuy Tran , Godfrey Gumbs , Duy Khanh Nguyen , Ming-Fa Lin
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