Journal ArticleDOI
A Strategy of Enhancing the Photoactivity of g-C3N4 via Doping of Nonmetal Elements: A First-Principles Study
TLDR
In this article, an effective structural doping approach has been described to modify the photoelectrochemical properties of g-C3N4 by doping with nonmetal (sulfur or phosphorus) impurities.Abstract:
An effective structural doping approach has been described to modify the photoelectrochemical properties of g-C3N4 by doping with nonmetal (sulfur or phosphorus) impurities. Here, the substitutional and interstitial doped models of g-C3N4 systems were constructed with different doped sites, and then their dopant formation energies and electronic properties were performed to study the stability and visible-light photoactivity using first-principles density functional theory, respectively. Our results have identified that an S atom preferentially substitutes for the edge N atom of g-C3N4; however, a P atom preferentially situates the interstitial sites of in-planar of g-C3N4. Furthermore, it is demonstrated that the doping with nonmetal impurities reduces the energy gap to enhance the visible-light absorption of g-C3N4. The increased dispersion of the contour distribution of the HOMO and LUMO brought by doping facilitates the enhancement of the carrier mobility, while the noncoplanar HOMO and LUMO favor the...read more
Citations
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Journal ArticleDOI
Design strategies and mechanisms of g-C3N4-based photoanodes for photoelectrocatalytic degradation of organic pollutants in water.
Yunfei Zhou,Youzheng Chai,Haibo Sun,Xia Li,Xingwang Liu,Yunshan Liang,Xiaomin Gong,Zhibin Wu,Chao Liu,Pufeng Qin +9 more
TL;DR: In this article , the progress of various functionalized graphitic carbon nitride (CN) used for PEC reaction in recent years is reviewed, and the degradation efficiency of these CN-based materials is critically evaluated.
Journal ArticleDOI
Synthesis of Sulfur@g-C3N4 and CuS@g-C3N4 Catalysts for Hydrogen Production from Sodium Borohydride
K. Alshammari,Turki Alotaibi,Majed Alshammari,Sultan Alhassan,Alhulw H. Alshammari,Taha Abdel Mohaymen Taha +5 more
TL;DR: In this article , the structural properties of these samples were completed on XRD, FTIR and ESEM techniques, and the results showed that the polycondensation process significantly reduced the interplanar distance and increased the surface area for the CuS-g-C3N4 nanosheet.
Journal ArticleDOI
Modification Mechanism and Method in Doping Co Atom Intog-C3N4 Based on the First Principle Calculation
Ran Liu,YiHang Fan,ZhaoPeng Hao +2 more
Journal ArticleDOI
Doping mechanism of S, O co-doped in nitrogen vacancy defect rich g-C3N4 nanosheet photocatalyst
TL;DR: In this article , S and O elements doped g-C3N4 nanosheets samples were prepared by calcinating the supramolecular precursor obtained by self-assembly of melamine and cyanuric acid by one-step double crucible method.
Journal Article
Three-Dimensional Functionalized Carbon Nanotubes/Graphitic Carbon Nitride Hybrid Composite as the Sulfur Host for High-Performance Lithium–Sulfur Batteries
He Wenxiang,Xingchen He,Meili Du,Shiyu Bie,Jianguo Liu,Yiqing Wang,Meng Liu,Zhigang Zou,Wuwei Yan,Haimin Zhao +9 more
TL;DR: In this paper, a three-dimensional hybrid sulfur host composed of graphitic carbon nitride and functionalized carbon nanotubes is prepared via a self-assembly-assisted method assisted by calcination.
References
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TL;DR: A simple analytic representation of the correlation energy for a uniform electron gas, as a function of density parameter and relative spin polarization \ensuremath{\zeta}, which confirms the practical accuracy of the VWN and PZ representations and eliminates some minor problems.
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Journal ArticleDOI
A metal-free polymeric photocatalyst for hydrogen production from water under visible light
Xinchen Wang,Kazuhiko Maeda,Arne Thomas,Kazuhiro Takanabe,Gang Xin,Johan M. Carlsson,Kazunari Domen,Markus Antonietti +7 more
TL;DR: It is shown that an abundant material, polymeric carbon nitride, can produce hydrogen from water under visible-light irradiation in the presence of a sacrificial donor.