Journal ArticleDOI
Theoretical Understandings of Graphene-based Metal Single-Atom Catalysts: Stability and Catalytic Performance.
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TLDR
An overview of recent progress in investigations of graphene-based SACs is provided, selectively focusing on the stability of metal single-atoms anchored on different sites of graphene support and the catalytic performances of graphene theses for different chemical reactions, including thermocatalysis and electrocatalysis.Abstract:
Research on heterogeneous single-atom catalysts (SACs) has become an emerging frontier in catalysis science because of their advantages in high utilization of noble metals, precisely identified active sites, high selectivity, and tunable activity. Graphene, as a one-atom-thick two-dimensional carbon material with unique structural and electronic properties, has been reported to be a superb support for SACs. Herein, we provide an overview of recent progress in investigations of graphene-based SACs. Among the large number of publications, we will selectively focus on the stability of metal single-atoms (SAs) anchored on different sites of graphene support and the catalytic performances of graphene-based SACs for different chemical reactions, including thermocatalysis and electrocatalysis. We will summarize the fundamental understandings on the electronic structures and their intrinsic connection with catalytic properties of graphene-based SACs, and also provide a brief perspective on the future design of efficient SACs with graphene and graphene-like materials.read more
Citations
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Theory-oriented screening and discovery of advanced energy transformation materials in electrocatalysis
TL;DR: In this article, a review comprehensively outlines the latest progress of theory-guided design of advanced energy transformation materials, especially, focusing on the study of single atoms in various power devices, such as fuel cell (oxygen reduction reaction, ORR; acid oxidation reaction; alcohol oxidation reaction), and other reactions for energy-related electrocatalytic conversion of small molecules, including H2O2 evolution reactions (2e- ORR), water splitting, HER/OER), N2 reduction reaction (NRR), and CO2 reduction reactions (CO2RR).
Journal ArticleDOI
Theory-oriented screening and discovery of advanced energy transformation materials in electrocatalysis
TL;DR: In this paper , a review comprehensively outlines the latest progress of theory-guided design of advanced energy transformation materials, focusing on the study of single atoms in various power devices, such as fuel cell (oxygen reduction reaction, ORR; acid oxidation reaction; alcohol oxidation reaction), and other reactions for energy-related electrocatalytic conversion of small molecules.
Journal ArticleDOI
Non-carbon-supported single-atom site catalysts for electrocatalysis
Xiaobo Zheng,Xiaobo Zheng,Peng Li,Shi Xue Dou,Wenping Sun,Hongge Pan,Dingsheng Wang,Yadong Li +7 more
TL;DR: In this article, the authors summarized the recent exciting progress on the non-carbon-supported SACs and their applications in electrocatalytic reactions, and provided perspective insights into the current challenges and the future prospects for NCSACs.
Journal ArticleDOI
Emerging low-nuclearity supported metal catalysts with atomic level precision for efficient heterogeneous catalysis
TL;DR: In this article , a review comprehensively outlines the recent exciting advances on the supported atomically dispersed metal catalysts with emphasis on the deeper understanding of the synergistic interactions among multiple metal atoms and underlying structure-performance relationships.
Journal ArticleDOI
Mechanistic insight into the active centers of single/dual-atom Ni/Fe-based oxygen electrocatalysts.
Wenchao Wan,Yonggui Zhao,Shiqian Wei,C. A. Triana,Jingguo Li,Andrea Arcifa,Christopher S. Allen,Rui Cao,Greta R. Patzke +8 more
TL;DR: In this article, a molecular tailoring strategy based on graphitic carbon nitride was proposed for the rational design of single-site and dual-site single-atom catalysts.
References
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Journal ArticleDOI
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
Jens K. Nørskov,Jan Rossmeisl,and Ashildur Logadottir,L. Lindqvist,John R. Kitchin,Thomas Bligaard,Hannes Jónsson +6 more
TL;DR: In this paper, the stability of reaction intermediates of electrochemical processes on the basis of electronic structure calculations was analyzed and a detailed description of the free energy landscape of the electrochemical oxygen reduction reaction over Pt(111) as a function of applied bias was presented.
Journal ArticleDOI
Single-atom catalysis of CO oxidation using Pt1/FeOx
Botao Qiao,Aiqin Wang,Xiaofeng Yang,Lawrence F. Allard,Zheng Jiang,Yi-Tao Cui,Jingyue Liu,Jingyue Liu,Jun Li,Tao Zhang +9 more
TL;DR: Density functional theory calculations show that the high catalytic activity correlates with the partially vacant 5d orbitals of the positively charged, high-valent Pt atoms, which help to reduce both the CO adsorption energy and the activation barriers for CO oxidation.
Journal ArticleDOI
High-Performance Electrocatalysts for Oxygen Reduction Derived from Polyaniline, Iron, and Cobalt
TL;DR: A family of non–precious metal catalysts that approach the performance of platinum-based systems at a cost sustainable for high-power fuel cell applications, possibly including automotive power.
Journal ArticleDOI
Single-atom catalysts: a new frontier in heterogeneous catalysis.
TL;DR: Recent advances in preparation, characterization, and catalytic performance of SACs are highlighted, with a focus on single atoms anchored to metal oxides, metal surfaces, and graphene, offering the potential for applications in a variety of industrial chemical reactions.
Journal Article
High-Performance Electrocatalysts for Oxygen Reduction Derived from Polyaniline, Iron, and Cobalt
TL;DR: In this article, a family of non-precious metal catalysts that approach the performance of platinum-based systems at a cost sustainable for high-power fuel cell applications, possibly including automotive power.