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Abstract:
The insufficient oxidation capacity, high carrier recombination rate and limited sunlight absorption seriously suppress the photocatalytic activity of pure g-C3N4. Using state-of-the-art hybrid density functional theory, we report an efficient method to tackle all aforementioned issues of g-C3N4 by metal-nonmetal (S and K) co-doping here. We find the adsorption of K atom on hollow site causes dynamic strain of g-C3N4. The S + K co-doping not only shifts the band edges downwards to achieve a much large overpotential of ca. 0.76 V, but also significantly extends the visible-light absorption threshold of g-C3N4. More importantly, the newly established channel between neighboring heptazine units in the doped structure is highly favorable for the separation of charge carriers. Our results help the design of high-performance visible-light-responsive g-C3N4-based photocatalyst for solar water splitting. (C) 2019 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
ISSN: 0360-3199
Year: 2020
Issue: 7
Volume: 45
Page: 4534-4544
5 . 8 1 6
JCR@2020
8 . 1 0 0
JCR@2023
ESI Discipline: ENGINEERING;
ESI HC Threshold:132
JCR Journal Grade:2
CAS Journal Grade:3
Cited Count:
WoS CC Cited Count: 52
SCOPUS Cited Count: 54
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 0
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