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Cu atomic chains supported on β-Borophene sheets for effective CO2 electroreduction

Abstract

The good performance of Cu displayed in CO2 conversion promotes the study on how to disperse Cu into 2D materials for better catalysis. Inspired by the recent studies on new 2D porous B sheets [Angew. Chem. Int. Ed. 2017, 56, 10093; Adv. Mater. 2018, 30, 1704025; Phys. Rev. Lett. 2017,118, 096401], here for the first time we have explored the catalytic properties of Cu atomic chains on β-borophene sheets, and have found that the Cu-B sheet can break the scaling relationship through providing secondary adsorption sites, thus leading to small overpotentials in the preferable reaction pathway CO2 → COOH* → CO* → CHO* → CH2O* → CH3O* → CH3OH. The Cu atomic chains also lower the energy barrier by forming assistant adsorptions of H*. Electronic structures analyses further show that Cu atomic chain structure stabilizes the CHO* bonding through enhanced σ bonding-π back-bonding mode. Our study not only sheds light on design of new catalysts for effective CO2 conversion but also expands the applications of B sheets.

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Publication details

The article was received on 05 Mar 2018, accepted on 11 May 2018 and first published on 14 May 2018


Article type: Paper
DOI: 10.1039/C8NR01855C
Citation: Nanoscale, 2018, Accepted Manuscript
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    Cu atomic chains supported on β-Borophene sheets for effective CO2 electroreduction

    H. Shen, Y. Li and Q. Sun, Nanoscale, 2018, Accepted Manuscript , DOI: 10.1039/C8NR01855C

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