相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。
Article
Engineering, Environmental
Jinlong Liu et al.
Summary: By using density functional theory calculations, it was found that the central metal and coordinating atoms strongly influence the oxygen electrocatalysis activity on metal single-atom catalysts, primarily by tuning the adsorption free energy of adsorbed hydroxyl. Dual limiting potential volcano curves were constructed, with Ni-N2-C identified as the optimal synthetic target for bifunctional ORR/OER electrocatalysis.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Physical
Gaofan Xiao et al.
Summary: By utilizing density functional theory calculations, this research systematically studied the ORR/OER performances of nitrogen-coordinated transition metal carbon materials and found that asymmetric tri-coordinated catalysts, particularly NiN3-C, exhibit stronger catalytic intermediate adsorption capacity and lower overpotential, making them highly efficient bifunctional catalysts for oxygen catalysis. The enhanced effect is attributed to additional orbital interaction, as evidenced by changes in d-band center and integral crystal orbital Hamilton population. This study not only provides a potential bifunctional oxygen catalyst, but also enriches knowledge in coordination engineering for tailoring the activity of single-atom catalysts.
Article
Chemistry, Multidisciplinary
Xiaofei Zhang et al.
Summary: This study demonstrates the key bifunctional role of sulfur-doping in promoting ORR and OER activity, and reveals the precise regulation of OOH* stabilization as the origin of this activity.
Article
Chemistry, Physical
Yuting He et al.
Summary: This study presents atomically dispersed Fe-Co dual metal sites derived from Fe and Co codoped zeolitic imidazolate frameworks, showing excellent bifunctional catalytic activity for ORR and OER in alkaline media. The FeCo-NC catalyst exhibits outstanding stability and is integrated into an air electrode for fabricating rechargeable and flexible Zn-air batteries, achieving a high power density and long-cycle stability. This work offers a method to design and synthesize atomically dispersed multi-metal site catalysts for advanced electrocatalysis.
Article
Chemistry, Physical
Kuang-Min Zhao et al.
Summary: This study investigates the effect of axial ligands on the ORR catalytic activity of Fe-N-4 by using poly(iron phthalocyanine) as a model electrocatalyst. It reveals that the ORR activity of Fe-N-4 sites can be regulated by tuning the field strength of the axial ligands, and it is related to the energy level gap between OH p(x)p(y) and Fe 3dz2.
ADVANCED ENERGY MATERIALS
(2022)
Review
Nanoscience & Nanotechnology
Fang Dong et al.
Summary: This paper reviews the general principles for designing atomically dispersed M-N-C catalysts and presents strategies to enhance their bifunctional catalytic activity and stability. It also outlines the challenges and perspectives of using M-N-C catalysts for rechargeable zinc-air batteries.
NANO-MICRO LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Subhajit Sarkar et al.
Summary: In this study, a bifunctional electrocatalyst with target-specific Fe-N-4/C and Co-N-4/C isolated active sites was developed, showing a symbiotic effect on overall oxygen electrocatalysis performances. The dualism of N-dopants and binary metals lowered the d-band centers of Fe and Co in the catalyst, improving the overpotential of the catalytic processes. The Fe, Co, N-C catalyst demonstrated a high areal power density in both liquid and solid-state Zn-air batteries, making it a suitable candidate for air cathode material in ZABs.
Review
Engineering, Environmental
Jing Wang et al.
Summary: This review summarizes the preparation strategies and characterization techniques of dual-metal sites, emphasizing the importance of theoretical modeling and simulation. It highlights the critical roles and unique traits of dual-atom sites in electrocatalysis.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Lishan Peng et al.
Summary: This study reports the development of FeN4-O-NCR catalysts with excellent intrinsic activity for alkaline ORR by optimizing the intrinsic ORR activity of Fe single-atom sites. The catalyst demonstrates outstanding performance in electrochemical tests, outperforming existing catalysts, and exhibits high power density when used in a zinc-air battery.
ADVANCED MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Ting He et al.
Summary: Iron, nitrogen-codoped carbon nanocomposites have been found to be effective electrocatalysts for the oxygen reduction reaction due to the formation of FeNxCy coordination moieties. Experimental and computational results show that incorporating single Cu sites can decrease the magnetic moment of the Fe centers and significantly enhance ORR activity over a wide pH range. When used as cathode catalysts in aluminum-air and zinc-air batteries, the Fe-N-C nanocomposites exhibit superior performance compared to commercial Pt/C or Pt/C-RuO2 catalysts.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Electrochemistry
Yang Chen et al.
Summary: This paper presents a rational design of carbon nanomaterials with high adsorption capability and remarkable catalytic activity for high-performance sensors. The prepared nanocomposites, composed of core-shell structures and carbon aerogels, exhibit N-doped carbon shells encapsulating Ni nanoclusters that distribute uniformly in the carbon aerogels. The NCA(CNT)/Ni nanocomposites demonstrate high adsorption capability and remarkable catalytic activity, enabling qualitative and quantitative determination of hydroquinone (HQ) and catechol (CT).
ELECTROCHIMICA ACTA
(2022)
Article
Chemistry, Multidisciplinary
Xuyan Zhou et al.
Summary: Heteronuclear double-atom catalysts modify the charge density of active metal sites and enhance catalytic activities. CoFe-N-C exhibits exceptional ORR and OER electro-catalytic activities in alkaline media.
Article
Multidisciplinary Sciences
Xin Wan et al.
Summary: This study demonstrates the high activity and stability of an Fe-N-C catalyst for oxygen reduction reaction in acidic fuel cells by introducing nitrogen-coordinated iron clusters and closely surrounding Fe-N-4 active sites. The strong electronic interaction between the iron clusters and the Fe-N-4 sites optimizes the adsorption strength of reaction intermediates and enhances the catalyst's turnover frequency and demetalation resistance.
NATURE COMMUNICATIONS
(2022)
Review
Multidisciplinary Sciences
Jieqiong Shan et al.
Summary: Single-atom catalysts (SACs) are promising electrocatalysts with unique geometric structures. A recent development in this field is the emergence of correlated SACs (C-SACs), which have adjacent metal single atoms participating in metal-metal interactions. Controlling these interactions allows for regulation of atomic structure and properties, leading to modulation of electrocatalytic behavior of C-SACs. Future directions include the design and development of C-SACs to create high-performing new SAC architectures.
Article
Chemistry, Physical
Yang Zhou et al.
Summary: This study presents a hollow fiber constructed from carbon nanotubes with single-atomic Ni-N-4 sites, which demonstrate superior activities in oxygen electrocatalysis and CO2 conversions. The highly porous and conductive framework of the hollow fiber provides abundant active sites and fast kinetics. Moreover, a flexible Zn-air battery assembled with the hollow fiber exhibits good flexibility, high power/energy density, and stable performance at both ambient and freezing temperatures.
ENERGY STORAGE MATERIALS
(2022)
Article
Chemistry, Physical
Huan Yang et al.
Summary: In this study, a high-performance bifunctional electrocatalyst consisting of high-purity pyrrole nitrogen anchored cobalt single-atom (CoN4) and adjacent metallic cobalt sites (Co-p @CoNC) was developed. The catalyst exhibited superior electrocatalytic activity for both oxygen evolution reaction (OER) and oxygen reduction reaction (ORR). Experimental results and theoretical simulations revealed that the pyrrole-type CoN4 and adjacent metallic cobalt sites were separately decisive active sites for ORR and OER activities. Additionally, metallic cobalt regulated the electron distribution of CoN4 moiety to improve ORR activity. Importantly, the rechargeable Zn-air batteries using this catalyst demonstrated high peak power densities.
ENERGY STORAGE MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Kun Wang et al.
Summary: A versatile molten salt-assisted pyrolysis strategy was developed to construct ultrathin, porous carbon nanosheets supported Co single-atom catalysts (SACs). The SACs exhibited excellent bifunctional activity and stability and outperformed commercial catalysts in metal-air batteries.
Article
Chemistry, Multidisciplinary
Zhihao Pei et al.
Summary: In this study, a catalyst with atomically dispersed Ni/Co dual-metal sites anchored on nitrogen-doped carbon hollow prisms was successfully designed and synthesized. This catalyst exhibits superior electrocatalytic activity and kinetics, and density functional theory calculations showed strong synergistic interactions and optimized electronic structure, resulting in reduced reaction energy barrier.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Physical
Wei Liu et al.
Summary: In this study, two kinds of Co-N-C materials were designed and the oxygen reduction reaction (ORR) pathway was transformed from four electron (4e(-) ) to two-electron (2e(-) ) by tuning the atomic configuration of the materials. This provided an efficient strategy for tuning oxygen reduction selectivity for specific applications.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2022)
Review
Chemistry, Physical
Liwei Xiong et al.
Summary: This article describes the effects and mechanism of the electronic structure on the electrocatalytic activity and discusses viable strategies to modulate the electronic configuration of electrocatalysts.
Article
Multidisciplinary Sciences
Qichen Wang et al.
Summary: In this study, a high-rate and robust performance is achieved in quasi-solid-state Zn-air batteries using a single-atom catalyst and an organohydrogel electrolyte. A cycling current density of 100 mA cm(-2) at 25 degrees C and a broad temperature adaptability of -60 to 60 degrees C are demonstrated.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Kuixing Ding et al.
Summary: In this study, bifunctional Co-CoN4 hybrid active sites embedded in porous N-rich carbon nanolamellas were successfully constructed through a facile coordination bridging strategy. The designed catalyst exhibited excellent activity and stability for both the ORR and OER, making it a promising candidate for rechargeable Zn-air batteries.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Chemistry, Physical
Ping Li et al.
Summary: This article introduces a method to construct a unique bifunctional catalyst that can achieve high durability in zinc-air batteries and has abundant active sites to catalyze oxygen reduction reaction and oxygen evolution reaction. The catalyst exhibits excellent peak power density in zinc-air batteries.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2022)
Article
Chemistry, Physical
Jing Wang et al.
Summary: This study used density functional theory to investigate the effect of introducing heteroatoms on improving the ORR catalytic activity of Cu-N-C. Through the study of 41 model systems, it was found that CuN3, CuN4P, and CuN4S2 fragments have good ORR catalytic activity, which is due to the increased charge and tailored d-band fine structure.
APPLIED SURFACE SCIENCE
(2022)
Article
Materials Science, Multidisciplinary
Chunyang Yin et al.
Summary: Researchers have summarized the application of Cu-based bimetallic catalysts in CO2 reduction reactions. By altering the electronic environment of the catalysts, selectivity can be improved, leading to the generation of high value-added products.
ADVANCED POWDER MATERIALS
(2022)
Article
Chemistry, Physical
Lihong Zhang et al.
Summary: Efficiently designed atomically dispersed bi-atom catalysts show promising catalytic activity for hydrogen evolution, oxygen reduction, and oxygen reduction reactions, providing a new direction for developing renewable energies.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
Article
Chemistry, Physical
Kavita Kumar et al.
Summary: Second pyrolysis of Fe-N-C catalysts leads to larger mesopore size, higher iron content, and N-pyridinic moieties, resulting in improved ORR activity and selectivity. Aging morphology of catalysts varies significantly depending on whether they underwent a second pyrolysis, with Fe-clusters formation and partial corrosion observed in Fe-HT2 after load cycling aging at 80 degrees C. No clustering was observed at 60 degrees C, suggesting potential guidelines for enhancing stability of Fe-N-C materials.
Article
Chemistry, Multidisciplinary
Miaomiao Tong et al.
Summary: The dual-metal single-atom catalyst Cu/Zn-NC shows excellent ORR activity and stability, with operando XANES and DFT calculations revealing the synergistic interaction between Cu-N-4 and Zn-N-4 as well as the transitions between different states.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Review
Energy & Fuels
Ze-Cheng Yao et al.
Summary: Zin-cair batteries show great potential with high energy density and decent rechargeability, but their performance is limited by sluggish kinetics of oxygen electrocatalysis. The key focus is on designing nonprecious metal-based electrocatalysts with excellent activity, durability, and low cost.
Article
Chemistry, Physical
Yiyang Lin et al.
Summary: In this study, external N species, including pyrrolic-N and graphitic-N, were introduced near FeN4 to regulate its charge distribution and improve its ORR activity. Theoretical calculations and experimental results confirmed that the introduction of pyrrolic-N led to enhanced electron redistribution and local electrical field on the Fe site, resulting in positive charge accumulation and improved catalytic performance for ORR. This work provides guidance on enhancing the catalytic performances of single-atom catalysts by introducing charge-redistribution sites.
Review
Nanoscience & Nanotechnology
Aniruddha Kundu et al.
Summary: This article highlights the importance of nonprecious metal oxygen electrocatalysts in electrochemical energy conversion and storage technologies, as well as the emerging trends and advantages of these catalysts.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Multidisciplinary
Zhaoyang Chen et al.
Summary: In this study, sulfur-doped Fe-1-NC catalyst was found to exhibit superior activity towards ORR compared to traditional Fe-NC materials. The incorporation of sulfur in the second coordination sphere of Fe-1-NC was shown to induce a transition of spin polarization configuration, with the low spin single-Fe3+-atom identified as the active site for ORR through operando Fe-57 Mossbauer spectra. Additionally, DFT calculations revealed that the lower spin state of the Fe center after sulfur doping promotes the OH* desorption process.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Ji Yang et al.
Summary: Atomically dispersed Cu-N-C single-atom catalysts with Cu2+-N-4 structure exhibit comparable activity and superior durability to Pt/C in the electrochemical reduction of oxygen. The dynamic evolution of Cu-N-4 to Cu-N-3 and further to HO-Cu-N-2 under ORR conditions is identified, with the low-coordinated Cu+-N-3 being determined as the real active site. The findings may guide the design of more efficient low-cost catalysts.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Multidisciplinary Sciences
Wenchao Wan et al.
Summary: The authors reported the structural dynamics of dual-site nickel-iron single-atom oxygen electrocatalysts under reaction conditions, proposing a dual-site pathway for the water oxidation reaction. Single-atom catalysts with maximum metal utilization efficiency show great potential for sustainable catalytic applications and fundamental mechanistic studies. The convenient molecular tailoring strategy based on graphitic carbon nitride as support allows for the rational design of single-site and dual-site single-atom catalysts.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Meiling Xiao et al.
Summary: In this study, the electronic configuration of Co d-orbital was modulated by constructing the Ir-Co atomic pair, leading to boosted bifunctional activity. The developed dual-atom IrCo-N-C catalyst exhibited unprecedented activity, outperforming commercial Pt/C and Ir/C benchmarks.
Article
Chemistry, Physical
Deshuang Yu et al.
Summary: This study developed atomically dispersed Fe-Ni single atom catalysts that exhibit outstanding activity for oxygen reduction and evolution reactions, as well as superior performance in flexible zinc-air and aluminum-air batteries.
ADVANCED ENERGY MATERIALS
(2021)
Review
Electrochemistry
Adewale K. Ipadeola et al.
Summary: This review explores the challenges faced by rechargeable zinc-air batteries (RZABs) and recent developments aimed at mitigating performance-limiting events, with a focus on the bifunctional electrocatalytic events at the cathode and critical areas for the development of the next-generation RZABs.
Review
Materials Science, Multidisciplinary
Xinxin Shu et al.
Summary: Carbon-based catalysts are highly regarded for energy storage and conversion technologies due to their high electrical conductivity and tunable micro- and nanostructures, but developing efficient, low-cost, and durable bifunctional carbon-based electrocatalysts remains a challenge. Recent research has focused on fabrication strategies for carbon-based oxygen reduction reaction/oxygen evolution reaction electrocatalysts for Zn-air batteries, outlining the current challenges and perspectives in developing advanced bifunctional carbon-based electrocatalysts.
MATERIALS ADVANCES
(2021)
Article
Chemistry, Multidisciplinary
Kai Yuan et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2020)
Editorial Material
Chemistry, Multidisciplinary
Yi Jia et al.
Review
Chemistry, Physical
Aderemi B. Haruna et al.
CURRENT OPINION IN ELECTROCHEMISTRY
(2020)
Article
Chemistry, Multidisciplinary
Huishan Shang et al.
Article
Multidisciplinary Sciences
Huishan Shang et al.
NATURE COMMUNICATIONS
(2020)
Review
Chemistry, Physical
Bingzhang Lu et al.
Article
Chemistry, Physical
Jiayi Qin et al.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2020)
Article
Chemistry, Physical
Yi-jin Wu et al.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2020)
Article
Chemistry, Physical
Yang Chen et al.
JOURNAL OF MATERIALS CHEMISTRY A
(2020)
Article
Chemistry, Physical
Mengjie Chen et al.
ACS ENERGY LETTERS
(2019)
Article
Chemistry, Multidisciplinary
Xiang Ao et al.
Article
Multidisciplinary Sciences
Ting He et al.
Article
Chemistry, Physical
Ting He et al.
JOURNAL OF MATERIALS CHEMISTRY A
(2019)
Review
Chemistry, Applied
Yibo Guo et al.
CHINESE JOURNAL OF CATALYSIS
(2019)
Article
Chemistry, Multidisciplinary
Yingying Guo et al.
Article
Chemistry, Multidisciplinary
Gang Wan et al.
Review
Electrochemistry
Gengtao Fu et al.
Review
Chemistry, Physical
Qiliang Wei et al.
CURRENT OPINION IN ELECTROCHEMISTRY
(2017)
Article
Chemistry, Multidisciplinary
Chang Hyuck Choi et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2015)
Article
Chemistry, Physical
Hongliang Peng et al.
Article
Chemistry, Multidisciplinary
Nagappan Ramaswamy et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2013)
