2020
DOI: 10.1016/j.apsusc.2020.146166
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Two-dimensional hexaphosphate BiMP6 (M = Al, Ga, In) with desirable band gaps and ultrahigh carrier mobility for photocatalytic hydrogen evolution

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Cited by 35 publications
(14 citation statements)
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“…Since, the discovery of graphene, 14–17 two-dimensional (2D) materials have also been given much attention, and a number of monolayers have been reported. 18–24 Moreover, many of them were identified as being suitable photocatalytic materials for HER, and an example of such a material is antimonene nanoribbon with halogen edge passivation. 25 However, the solar-energy-to-hydrogen conversion efficiency ( η ) is not satisfactory because of mutual constraints between the optical absorption and the redox potential of the band energy edges.…”
Section: Introductionmentioning
confidence: 99%
“…Since, the discovery of graphene, 14–17 two-dimensional (2D) materials have also been given much attention, and a number of monolayers have been reported. 18–24 Moreover, many of them were identified as being suitable photocatalytic materials for HER, and an example of such a material is antimonene nanoribbon with halogen edge passivation. 25 However, the solar-energy-to-hydrogen conversion efficiency ( η ) is not satisfactory because of mutual constraints between the optical absorption and the redox potential of the band energy edges.…”
Section: Introductionmentioning
confidence: 99%
“…The E g ’s of BiOBr, CDs/BiOBr, N-CDs/BiOBr, and Bi-N-CDs/BiOBr were estimated through a Tauc plot, corresponding to 2.66, 2.48, 2.36, and 2.25 eV, respectively (Figure c). The narrower band gap suggests the stronger visible-light responsiveness, which may bring about more e – –h + pairs, thereby enhancing the photocatalytic efficiency . A Mott–Schottky (M–S) test was conducted to explore the band structure of BiOBr.…”
Section: Resultsmentioning
confidence: 99%
“…Although the standard DFT is known to underestimate band gaps which is usually corrected by hybrid functionals [38][39][40][41], Li et al [34] found only a tiny difference (that will not affect the conclusions) between the SBHs calculated using PBE and HSE06. The authors of this study further concluded that PBE-D2 method is able to provide sufficiently reliable results and the HSE06 method is no longer considered in their discussion.…”
Section: Simulation Detailsmentioning
confidence: 99%