Review of Metal Catalysts for Oxygen Reduction Reaction: From Nanoscale Engineering to Atomic Design

Wang, Xiaoqian; Li, Zhijun; Qu, Yunteng; Yuan, Tongwei; Wang, Wenyu; Wu, Yuen; Li, Yadong

doi:10.1016/j.chempr.2019.03.002

Cited by 570 publications

(385 citation statements)

References 114 publications

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“…[ 21 ] Several general reviews on the controlled synthesis of many types of SACs with high metal mass loading and their electrochemical applications for the hydrogen evolution reaction (HER), ORR, and carbon dioxide reduction reaction have been published. [ 22–25 ] Therefore, this review will specifically focus on reviewing the recent progress of both experimental and theoretical investigations for elucidating the mechanisms of ORR over SACs in acidic and alkaline environments, as well as the recently developed strategies for optimizing the ORR activity of SACs.…”

Section: Introductionmentioning

confidence: 99%

Molecular Design of Single‐Atom Catalysts for Oxygen Reduction Reaction

Wan

Duan

Huang

2020

Advanced Energy Materials

308

207

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His thesis mainly focuses on developing graphene-based single-atom catalysts and the surface engineering of Pt-based nanostructures for energy conversion and storage. Xiangfeng Duan received his Ph.D. in physical chemistry from Harvard University and his B.S. degree in chemistry from the University of Science and Technology of China. His research group at UCLA focuses on developing new material systems for highly efficient energy harvesting, conversion, and storage via the rational design and nanoscale integration of distinct materials. Taking advantage of unique 2D materials, he conducts research on the facile and controllable synthesis of novel single atoms catalysts for energy demanding applications and investigates their structure-activity relationships at atomic level to improve their catalytic activity for future application in real-life devices. Yu Huang received her Ph.D. in physical chemistry from Harvard University and her B.S. degree in chemistry from the University of Science and Technology of China.Her research group at UCLA explores the unique technological opportunities that result from the structure and assembly of nanoscale building blocks. Focusing at phenomena that occur at molecular level, she aims to unravel the fundamental principles that govern the synthesis and assembly of nanoscale material. Moreover, she uses such principles to design nanostructures and nanodevices with unique functions and properties to address critical challenges in electronics, energy science, and biomedicine.

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Section: Introductionmentioning

confidence: 99%

Molecular Design of Single‐Atom Catalysts for Oxygen Reduction Reaction

Wan

Duan

Huang

2020

Advanced Energy Materials

308

207

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“…Researchers have made numerous efforts by far to tackle the aforementioned problem [8][9][10][11]. Herein, we have divided these strategies into two directions.…”

Section: Introductionmentioning

confidence: 99%

Probing the active sites of site-specific nitrogen doping in metal-free graphdiyne for electrochemical oxygen reduction reactions

et al. 2020

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“…In this section, we discuss the applications of fundamental theory and methodology for the conversion of H 2 , O 2 , H 2 O, N 2 , CO 2 , and CH 4 activation. We refer to other refs for in-depth reviews (H 2 , [149][150][151] O 2 , [152,153] H 2 O, [154][155][156] N 2 , [157][158][159][160] CO 2 , [161][162][163] and CH 4 [4,5] ). Here, we focus on the demonstrations of the catalyst design methods such as the Sabatier principle, d-band theory, high-throughput screening, and machine learning for the activation of small molecules discussed above.…”

Section: Applications Of Computational Approaches For Small Molecule mentioning

confidence: 99%

Progress in Computational and Machine‐Learning Methods for Heterogeneous Small‐Molecule Activation

Choi

Lee

et al. 2020

Advanced Materials

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The chemical conversion of small molecules such as H2, H2O, O2, N2, CO2, and CH4 to energy and chemicals is critical for a sustainable energy future. However, the high chemical stability of these molecules poses grand challenges to the practical implementation of these processes. In this regard, computational approaches such as density functional theory, microkinetic modeling, data science, and machine learning have guided the rational design of catalysts by elucidating mechanistic insights, identifying active sites, and predicting catalytic activity. Here, the theory and methodologies for heterogeneous catalysis and their applications for small‐molecule activation are reviewed. An overview of fundamental theory and key computational methods for designing catalysts, including the emerging data science techniques in particular, is given. Applications of these methods for finding efficient heterogeneous catalysts for the activation of the aforementioned small molecules are then surveyed. Finally, promising directions of the computational catalysis field for further outlooks are discussed, focusing on the challenges and opportunities for new methods.

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Review of Metal Catalysts for Oxygen Reduction Reaction: From Nanoscale Engineering to Atomic Design

Cited by 570 publications

References 114 publications

Molecular Design of Single‐Atom Catalysts for Oxygen Reduction Reaction

Molecular Design of Single‐Atom Catalysts for Oxygen Reduction Reaction

Probing the active sites of site-specific nitrogen doping in metal-free graphdiyne for electrochemical oxygen reduction reactions

Progress in Computational and Machine‐Learning Methods for Heterogeneous Small‐Molecule Activation

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