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Highly Localized C-N2 Sites for Efficient Oxygen Reduction
Ju, QJ; Ma, RG; Hu, YF; Guo, BB; Liu, Q; Thomas, T; Zhang, T; Yang, MH; Chen, W; Wang, JC
2020-08-21
Source PublicationACS CATALYSIS
ISSN2155-5435
Issue16Pages:9366
SubtypeArticle
AbstractThe search for oxygen reduction reaction (ORR) catalysts outperforming Pt, the state-of-the-art material, continues. Doped carbon-based materials offer a viable means for replacing Pt, but their activity improvement still remains a great challenge. Here, configurations of N-doped carbons are first analyzed using ab initio simulations toward ORR. The results show that a certain short-range ordered structure labeled as C-N2, which comprises of two nitrogen atoms flanking carbon, is the optimal choice. The predicted configuration of C-N2 is experimentally realized by triazine-doped carbon (triNC). The triNC with C-N2 sites demonstrates high ORR activity (onset potential 0.98 V, halfwave potential 0.89 V) comparable to commercial 20% Pt/C. The highly localized and positive-charged carbon atom in the C-N2 structure facilitates the dissociation of O-2 to increase the ORR kinetics, proved by theoretical calculation. A Zn-air cathode is fabricated using the triNC ORR electrocatalyst and outperforms the cathode using Pt/C in terms of specific capacity, energy density and long-term durability. The atomic-scale approach reported here provides a good strategy to achieve active carbon-based electrocatalysts for potential and scalable use in energy conversion and storage.
DOI10.1021/acscatal.0c00474
WOS KeywordN-DOPED CARBON ; HIERARCHICALLY POROUS CARBON ; METAL-FREE ELECTROCATALYSTS ; TRIAZINE-BASED FRAMEWORK ; BIFUNCTIONAL CATALYSTS ; ACTIVE-SITES ; EVOLUTION ; GRAPHENE ; ORR ; NANOSHEETS
Language英语
WOS Research AreaChemistry
PublisherAMER CHEMICAL SOC
Citation statistics
Document Type期刊论文
Identifierhttp://ir.sic.ac.cn/handle/331005/27814
Collection中国科学院上海硅酸盐研究所
Recommended Citation
GB/T 7714
Ju, QJ,Ma, RG,Hu, YF,et al. Highly Localized C-N2 Sites for Efficient Oxygen Reduction[J]. ACS CATALYSIS,2020(16):9366.
APA Ju, QJ.,Ma, RG.,Hu, YF.,Guo, BB.,Liu, Q.,...&Wang, JC.(2020).Highly Localized C-N2 Sites for Efficient Oxygen Reduction.ACS CATALYSIS(16),9366.
MLA Ju, QJ,et al."Highly Localized C-N2 Sites for Efficient Oxygen Reduction".ACS CATALYSIS .16(2020):9366.
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