2021
DOI: 10.1007/s10853-021-05954-7
|View full text |Cite
|
Sign up to set email alerts
|

Theoretical insight into the effect of Br, Na co-doping on electronic structure, photocatalytic and optical characteristics of g-C3N4 using first-principles and optical simulations

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
3
2

Citation Types

0
5
0

Year Published

2022
2022
2023
2023

Publication Types

Select...
7

Relationship

0
7

Authors

Journals

citations
Cited by 9 publications
(5 citation statements)
references
References 43 publications
0
5
0
Order By: Relevance
“…Most notably, there is significant disagreement in the literature between theoretical bandgap predictions and experimentally measured bandgaps. In particular, models for which bandgaps of 3 eV and lower are calculated typically feature a high degree of condensation while elemental analyses of synthesized materials with similar bandgaps show hydrogen contents that are incompatible with the theoretical models. The authors are convinced that this discrepancy is the result of the structural complexity of PCNs which is hard to represent properly in simulations.…”
Section: Introductionmentioning
confidence: 99%
“…Most notably, there is significant disagreement in the literature between theoretical bandgap predictions and experimentally measured bandgaps. In particular, models for which bandgaps of 3 eV and lower are calculated typically feature a high degree of condensation while elemental analyses of synthesized materials with similar bandgaps show hydrogen contents that are incompatible with the theoretical models. The authors are convinced that this discrepancy is the result of the structural complexity of PCNs which is hard to represent properly in simulations.…”
Section: Introductionmentioning
confidence: 99%
“…Optical constants for CsPbBr 3 , GO, and CN were obtained from the literature. 45 Please refer to Figure S1 for detailed modeling information.…”
Section: ■ Experimental Sectionmentioning
confidence: 99%
“…The reflectivity R can be expressed as R = 1 2 ω ε false| E false| 2 .25em normald V P 0 where P 0 is the incident power, ω is the angular frequency, and ε″ is the imaginary part of the dielectric constant. Optical constants for CsPbBr 3 , GO, and CN were obtained from the literature . Please refer to Figure S1 for detailed modeling information.…”
Section: Experimental Sectionmentioning
confidence: 99%
“…19 Ma et al reported a direct Z -scheme mechanism for a g-C 3 N 4 /WS 2 heterojunction photocatalyst. 20 The effects of Br and Na co-doping on the electronic structure, photocatalysis, and optical characteristics of g-C 3 N 4 were investigated by Ruan et al 21 Another C 2 N monolayer is also a nitrogen carbide material, 22 whose porous nature and exposed active areas allow for its preparation using a straightforward wet-chemical process. Furthermore, Zhang et al showed that the C 2 N monolayer acts as a support for transition metals (TI, Mn, Co, Ni, Cu, Mo), allowing the creation of catalysts with excellent hydrogen evolution reaction (HER) activity.…”
Section: Introductionmentioning
confidence: 99%