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Graphdiyne-based metal atomic catalysts for synthesizing ammonia

Open access
Yu, Huidi, Xue, Yurui, Hui, Lan, Zhang, Chao, Fang, Yan, Liu, Yuxin, Chen, Xi, Zhang, Danyan, Huang, Bolong, Li, Yuliang·2021·National Science Review

Abstract

Development of novel catalysts for nitrogen reduction at ambient pressures and temperatures with ultrahigh ammonia (NH3) yield and selectivity is challenging. In this work, an atomic catalyst with separated Pd atoms on graphdiyne (Pd-GDY) was synthesized, which shows fascinating electrocatalytic properties for nitrogen reduction. The catalyst has the highest average NH3 yield of 4.45 ± 0.30 mgNH3 mgPd−1 h−1, almost tens of orders larger than for previously reported catalysts, and 100% reaction selectivity in neutral media. Pd-GDY exhibits almost no decreases in NH3 yield and Faradaic efficiency. Density functional theory calculations show that the reaction pathway prefers to perform at the (Pd, C1, C2) active area because of the strongly coupled (Pd, C1, C2), which elevates the selectivity via enhanced electron transfer. By adjusting the p–d coupling accurately, reduction of self-activated nitrogen is promoted by anchoring atom selection, and side effects are minimized.

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Metadata

Authors
Yu, H., Xue, Y., Hui, L., Zhang, C., Fang, Y., Liu, Y., Chen, X., Zhang, D., Huang, B., & Li, Y.
Venue
National Science Review
Published
2020-08-28
Volume
8
Issue
8
Pages
nwaa213-nwaa213
ISSN
  • 2053-714X (ISSN-L)
  • 2095-5138
OpenAlex
W3082952064
Cited by
185
References
2
FWCI
5.72
Type
journal article
Language
en
Open access
gold

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CoChat. (2026). Citation check: Graphdiyne-based metal atomic catalysts for synthesizing ammonia. https://app.cochat.ai/papers/10.1093/nsr/nwaa213
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Yu, H., Xue, Y., Hui, L., Zhang, C., Fang, Y., Liu, Y., Chen, X., Zhang, D., Huang, B., & Li, Y. (2021). Graphdiyne-based metal atomic catalysts for synthesizing ammonia. National Science Review. https://doi.org/10.1093/nsr/nwaa213

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