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author:

Kong, Y. (Kong, Y..) [1] | Pan, J. (Pan, J..) [2] | Li, Y. (Li, Y..) [3] | Zhang, Y. (Zhang, Y..) [4] | Lin, W. (Lin, W..) [5]

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Scopus

Abstract:

Photocatalytic CO2 conversion to industrial fuels is considered an effective measure to solve energy and environmental problems. Presently, Catalysts for CO2 reduction reaction (CO2RR) are mostly confined to metal-based materials, but non-metal materials are less explored. We decorate the highly crystalline carbon nitride, i.e., poly(triazine) imides (PTI), with non-metallic boron (B) to obtain two B/PTI catalysts: Bi/PTI with B being deposited into the six-fold cavity of the PTI, and Bs/PTI with B substituting for C in PTI. For CO2RR, Bi/PTI follows a quasi Mars-van Krevelen process, but the high exposure of Bi results in an overly strong interaction with intermediates, inhibiting the reactivity. In contrast, Bs/PTI enhances the binding with intermediates by introducing Lewis acid-base pairs (B-N), which reduce the ring conjugation effect and induce the enrichment of electrons at the pyridine N. Hence, CO2 reduction with the adsorbed H* (Ha) hydrogenation mechanism in Bs/PTI has a significant reactivity. © 2024 Elsevier B.V.

Keyword:

“Acceptance-donation” process CO2 reduction DFT Lewis acid-base pairs Quasi-MvK

Community:

  • [ 1 ] [Kong Y.]State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, Fuzhou, 350108, China
  • [ 2 ] [Pan J.]State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, Fuzhou, 350108, China
  • [ 3 ] [Li Y.]State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, Fuzhou, 350108, China
  • [ 4 ] [Li Y.]Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Fujian, Xiamen, 361005, China
  • [ 5 ] [Zhang Y.]State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, Fuzhou, 350108, China
  • [ 6 ] [Zhang Y.]Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Fujian, Xiamen, 361005, China
  • [ 7 ] [Lin W.]State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, Fuzhou, 350108, China
  • [ 8 ] [Lin W.]Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Fujian, Xiamen, 361005, China

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Source :

Applied Surface Science

ISSN: 0169-4332

Year: 2024

Volume: 669

6 . 3 0 0

JCR@2023

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 2

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