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dc.contributor.authorLv, Chadeen_US
dc.contributor.authorJia, Ningen_US
dc.contributor.authorQian, Yuminen_US
dc.contributor.authorWang, Shanpengen_US
dc.contributor.authorWang, Xuechunen_US
dc.contributor.authorYu, Weien_US
dc.contributor.authorLiu, Chuntaien_US
dc.contributor.authorPan, Honggeen_US
dc.contributor.authorZhu, Qiangen_US
dc.contributor.authorXu, Jianweien_US
dc.contributor.authorTao, Xutangen_US
dc.contributor.authorLoh, Kian Pingen_US
dc.contributor.authorXue, Canen_US
dc.contributor.authorYan, Qingyuen_US
dc.identifier.citationLv, C., Jia, N., Qian, Y., Wang, S., Wang, X., Yu, W., Liu, C., Pan, H., Zhu, Q., Xu, J., Tao, X., Loh, K. P., Xue, C. & Yan, Q. (2023). Ammonia electrosynthesis with a stable metal-free 2D silicon phosphide catalyst. Small, 19(10), 2205959-.
dc.description.abstractMetal-free 2D phosphorus-based materials are emerging catalysts for ammonia (NH3 ) production through a sustainable electrochemical nitrogen reduction reaction route under ambient conditions. However, their efficiency and stability remain challenging due to the surface oxidization. Herein, a stable phosphorus-based electrocatalyst, silicon phosphide (SiP), is explored. Density functional theory calculations certify that the N2 activation can be realized on the zigzag Si sites with a dimeric end-on coordinated mode. Such sites also allow the subsequent protonation process via the alternating associative mechanism. As the proof-of-concept demonstration, both the crystalline and amorphous SiP nanosheets (denoted as C-SiP NSs and A-SiP NSs, respectively) are obtained through ultrasonic exfoliation processes, but only the crystalline one enables effective and stable electrocatalytic nitrogen reduction reaction, in terms of an NH3 yield rate of 16.12 µg h-1  mgcat. -1 and a Faradaic efficiency of 22.48% at -0.3 V versus reversible hydrogen electrode. The resistance to oxidization plays the decisive role in guaranteeing the NH3 electrosynthesis activity for C-SiP NSs. This surface stability endows C-SiP NSs with the capability to serve as appealing electrocatalysts for nitrogen reduction reactions and other promising applications.en_US
dc.description.sponsorshipAgency for Science, Technology and Research (A*STAR)en_US
dc.description.sponsorshipMinistry of Education (MOE)en_US
dc.relationRG 65/21en_US
dc.rights© 2022 Wiley-VCH GmbH. All rights reserved. This is the peer reviewed version of the following article: Lv, C., Jia, N., Qian, Y., Wang, S., Wang, X., Yu, W., Liu, C., Pan, H., Zhu, Q., Xu, J., Tao, X., Loh, K. P., Xue, C. & Yan, Q. (2023). Ammonia electrosynthesis with a stable metal-free 2D silicon phosphide catalyst. Small, 19(10), 2205959-, which has been published in final form at This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions.en_US
dc.subjectEngineering::Materials::Nanostructured materialsen_US
dc.titleAmmonia electrosynthesis with a stable metal-free 2D silicon phosphide catalysten_US
dc.typeJournal Articleen
dc.contributor.schoolSchool of Materials Science and Engineeringen_US
dc.contributor.researchInstitute of Material Research and Engineering, A*STARen_US
dc.description.versionSubmitted/Accepted versionen_US
dc.subject.keywordsChemical Stabilityen_US
dc.description.acknowledgementQ.Y. acknowledges the funding support from Singapore MOE AcRF Tier 1 under grant no. 2020-T1-001-031 and Singapore A*STAR project A19D9a0096. C.X. thanks the support from the Ministry of Education Singapore under AcRF-Tier1 (2021-T1-002-012, RG65/21.en_US
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