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http://hdl.handle.net/10397/95680
Title: | Impacts of boron doping on the atomic structure, stability, and photocatalytic activity of Cu₃P nanocrystals | Authors: | Zhang, X Kim, D Guo, X Zhu, Y Lee, LYS |
Issue Date: | Dec-2021 | Source: | Applied catalysis B : environmental, 5 Dec. 2021, v. 298, 120515 | Abstract: | Boron (B) has been engaged as a light and versatile dopant that can modify the crystal structure and intrinsic properties of host materials, enabling tunable electrocatalytic properties. However, the role of B dopant in photocatalytic reactions is still elusive. Herein, we report the preparation of B-doped Cu₃P nanocrystals (B-Cu₃P) that shows an almost four-time promotion of photocatalytic hydrogen production rate compared with pristine Cu₃P. This improvement is credited to the replacement of P with B atoms, which modifies atomic configuration and bonding environments of Cu₃P and endows with enhanced photostability and charge carrier generation. Computational calculations indicate that the boron-associated reconfiguration of electronic structure improves the conductivity of B-Cu₃P by downshifting the Fermi level, leading to a higher charge density and optimized Gibbs free energy of H adsorption. This work demonstrates the role of B-doping in revamping transition metal phosphides with improved kinetics and thermodynamics for photocatalytic reactions. | Keywords: | Boron doping Copper phosphide Hydrogen evolution reaction Photocatalysis Structure–activity relationships |
Publisher: | Elsevier | Journal: | Applied catalysis B : environmental | ISSN: | 0926-3373 | EISSN: | 1873-3883 | DOI: | 10.1016/j.apcatb.2021.120515 | Rights: | © 2021 Elsevier B.V. All rights reserved. © 2021. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/. The following publication Zhang, X., Kim, D., Guo, X., Zhu, Y., & Lee, L. Y. S. (2021). Impacts of boron doping on the atomic structure, stability, and photocatalytic activity of Cu3P nanocrystals. Applied Catalysis B: Environmental, 298, 120515 is available at https://dx.doi.org/10.1016/j.apcatb.2021.120515. |
Appears in Collections: | Journal/Magazine Article |
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Zhang_Impacts_Boron_Doping.pdf | Pre-Published version | 3.58 MB | Adobe PDF | View/Open |
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