Recent advancements in metal-free nitrides based single-atom catalysts: Nanoarchitectonics and applications

IF 33.6 1区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Materials Science Pub Date : 2025-04-16 DOI:10.1016/j.pmatsci.2025.101490

P.A. Aleena , Gurwinder Singh , Devthade Vidyasagar , Prashant Kumar , Muhammad Ibrar Ahmed , Rohan Bahadur , CI Sathish , Davidson Sajan , Ajayan Vinu

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Abstract

Metal-free nitrides (MFNs) including carbon nitride (CN), boron nitride (BN), and borocarbonitride (BCN), have shown immense potential as single metal atom catalysts (SACs). They can act as excellent host support for anchoring and stabilizing single metal atoms. However, critical challenges related to the precise loading of single metal atoms and their accurate characterization are still being pursued. The current review explores the various aspects of MFNs-SACs. Synthesis methods including carbonization, self-assembly, microwave, ball milling and atomic layer deposition are discussed. Characterisation using X-ray absorption, high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM), Wavelet transform extended X-ray absorption fine structure (WT-EXAFS), and scanning transmission electron microscopy (STEM) which are useful to explore atomic-level structure and coordination of the MFNs-SACs are discussed in depth. The theoretical understanding of the structural framework of the MFNs-SACs using the packages including Vienna ab initio simulation (VASP), projector-augmented wave (PAW), Perdew-Burke Ernzerhof (PBE) and spin-polarized DFT is discussed in detail. A comprehensive discussion of electrocatalytic and photocatalytic applications of MFNs-SACs is evaluated. In the end, conclusions and future outlooks are provided with a focus on what is already achieved and what further can be achieved in the field by utilizing advanced scientific research and knowledge.

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无金属氮化物单原子催化剂的研究进展：纳米结构及其应用

无金属氮化物（MFNs）包括氮化碳（CN）、氮化硼（BN）和硼碳氮化物（BCN），作为单金属原子催化剂（SACs）显示出巨大的潜力。它们可以作为锚定和稳定单个金属原子的优良宿主支撑。然而，与单金属原子的精确加载及其准确表征有关的关键挑战仍在继续。本综述探讨了mfns - sac的各个方面。讨论了碳化、自组装、微波、球磨和原子层沉积等合成方法。利用x射线吸收、高角环形暗场扫描透射电子显微镜（HAADF-STEM）、小波变换扩展x射线吸收精细结构（WT-EXAFS）和扫描透射电子显微镜（STEM）对MFNs-SACs的原子级结构和配位研究进行了深入讨论。详细讨论了利用维也纳从头算模拟（VASP）、投影增强波（PAW）、Perdew-Burke Ernzerhof （PBE）和自旋极化DFT等软件包对mfns - sac结构框架的理论认识。综述了MFNs-SACs在电催化和光催化方面的应用。最后，提供结论和未来展望，重点是已经取得的成就，以及利用先进的科学研究和知识在该领域进一步可以取得的成就。

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来源期刊

Progress in Materials Science 工程技术-材料科学：综合

CiteScore

59.60

自引率

0.80%

发文量

101

审稿时长

11.4 months

期刊介绍： Progress in Materials Science is a journal that publishes authoritative and critical reviews of recent advances in the science of materials. The focus of the journal is on the fundamental aspects of materials science, particularly those concerning microstructure and nanostructure and their relationship to properties. Emphasis is also placed on the thermodynamics, kinetics, mechanisms, and modeling of processes within materials, as well as the understanding of material properties in engineering and other applications. The journal welcomes reviews from authors who are active leaders in the field of materials science and have a strong scientific track record. Materials of interest include metallic, ceramic, polymeric, biological, medical, and composite materials in all forms. Manuscripts submitted to Progress in Materials Science are generally longer than those found in other research journals. While the focus is on invited reviews, interested authors may submit a proposal for consideration. Non-invited manuscripts are required to be preceded by the submission of a proposal. Authors publishing in Progress in Materials Science have the option to publish their research via subscription or open access. Open access publication requires the author or research funder to meet a publication fee (APC). Abstracting and indexing services for Progress in Materials Science include Current Contents, Science Citation Index Expanded, Materials Science Citation Index, Chemical Abstracts, Engineering Index, INSPEC, and Scopus.