Metal‐Nitrogen‐Doped Carbon Materials as Highly Efficient Catalysts: Progress and Rational Design

Abstract

As a typical class of single‐atom catalysts (SACs) possessing prominent advantages of high reactivity, high selectivity, high stability, and maximized atomic utilization, emerging metal‐nitrogen‐doped carbon (M‐N‐C) materials, wherein dispersive metal atoms are coordinated to nitrogen atoms doped in carbon nanomaterials, have presented a high promise to replace the conventional metal or metal oxides‐based catalysts. In this work, recent progress in M‐N‐C‐based materials achieved in both theoretical and experimental investigations is summarized and general principles for novel catalysts design from electronic structure modulating are provided. Firstly, the applications and mechanisms on the advantages and challenges of M‐N‐C‐based materials for a variety of sustainable fuel generation and bioinspired reactions, including the oxygen reduction reaction (ORR), oxygen evolution reaction (OER), hydrogen evolution reaction (HER), carbon dioxide reduction reaction (CO2RR), nitrogen reduction reaction (NRR), and nanozyme reactions are reviewed. Then, strategies toward enhancing the catalytic performance by engineering the nature of metal ion centers, coordinative environment of active centers, carbon support, and their synergistic cooperation, are proposed. Finally, prospects for the rational design of next generation high‐performance M‐N‐C‐based catalysts are outlined. It is expected that this work will provide insights into high‐performance catalysts innovation for sustainable and environmental technologies.

Atomically Dispersed Transition Metal-Nitrogen-Carbon Bifunctional Oxygen Electrocatalysts for Zinc-Air Batteries: Recent Advances and Future Perspectives

“…Besides, different TM centers also lead to different structures, specific surface areas, and different active N content and distribution of N-doped carbon materials [ 31 , 100 ]. Therefore, selecting a suitable metal center and adjusting their electronic configuration are the keys to optimizing good bifunctional performance [ 103 ]. Han et al prepared a well atomically dispersed Fe-N x -C catalyst by encapsulating Fe-Phen species in the nanocages during the growth of ZIF-8 (Fig.…”

Controlled Synthesis and Structure Engineering of Transition Metal‐based Nanomaterials for Oxygen and Hydrogen Electrocatalysis in Zinc‐Air Battery and Water‐Splitting Devices

“…In acid conditions, H + comes from the hydronium ion, while in alkaline conditions, the water molecule is the hydrogen ion provider. Afterwards, two different routes will happen to generate H 2 depending on the coverage of H*: if the H* coverage is low, H* would attract a proton and an electron, described as the Heyrovsky reaction; in the case of high H* coverage, the Tafel reaction would occur, meaning the combination of double H* [21] . The free energy of hydrogen adsorption (Δ G H* ) is acknowledged as the estimation for the HER kinetics of catalysts.…”

Mechanochemically Synthetized PAN-Based Co-N-Doped Carbon Materials as Electrocatalyst for Oxygen Evolution Reaction

“…Metal- and N-doped carbons have demonstrated to be excellent electrocatalysts [ 29 , 30 , 31 ]. For instance, nanocarbons such as carbon nanotubes, graphene, borocarbonitride, and covalent triazine framework have been modified with non-metallic atoms, such as N, to support metal nanoparticles, giving rise to ultrahigh catalytic active sites [ 32 , 33 , 34 ]. The addition of N into the carbon network creates a myriad of structural defects, which decrease the uphill energy states of the catalytic intermediates’ species, thus benefiting the overall ORR activity [ 35 ].…”