Journal ArticleDOI
A Strategy of Enhancing the Photoactivity of g-C3N4 via Doping of Nonmetal Elements: A First-Principles Study
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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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A fantastic graphitic carbon nitride (g-C3N4) material: Electronic structure, photocatalytic and photoelectronic properties
TL;DR: In this paper, the authors highlight the applications of graphitic carbon nitride (g-C 3 N 4 ) ranging from photocatalytic to photoelectronic materials and highlight the pathway to modulate its electronic structure.
Journal ArticleDOI
CdS/Graphene Nanocomposite Photocatalysts
TL;DR: In this paper, the enhancement mechanism of the photocatalytic performance of CdS/graphene composite photostability under visible-light irradiation has been investigated.
Journal ArticleDOI
Fast Photoelectron Transfer in (Cring)–C3N4 Plane Heterostructural Nanosheets for Overall Water Splitting
Wei Che,Weiren Cheng,Tao Yao,Fumin Tang,Wei Liu,Hui Su,Yuanyuan Huang,Qinghua Liu,Jinkun Liu,Fengchun Hu,Zhiyun Pan,Zhihu Sun,Shiqiang Wei +12 more
TL;DR: This unique plane heterostructural carbon ring (Cring)-C3N4 nanosheet can synchronously expedite electron-hole pair separation and promote photoelectron transport through the local in-plane π-conjugated electric field, synergistically elongating the photocarrier diffusion length and lifetime by 10 times relative to those achieved with pristine g-C 3N4.
Journal ArticleDOI
Carbon nitride with simultaneous porous network and O-doping for efficient solar-energy-driven hydrogen evolution
Zhen-Feng Huang,Jiajia Song,Lun Pan,Ziming Wang,Xueqiang Zhang,Ji-Jun Zou,Wenbo Mi,Xiangwen Zhang,Li Wang +8 more
TL;DR: In this paper, a facile precursor pre-treatment method, by forming hydrogen bond-induced supramolecular aggregates, to fabricate g-C 3 N 4 with simultaneous novel porous network and controllable O-doping was reported.
Journal ArticleDOI
Review on magnetically separable graphitic carbon nitride-based nanocomposites as promising visible-light-driven photocatalysts
TL;DR: In this paper, the most promising method to improve the photocatalytic activity and facilitate separation process is to introduce a magnetic compound over the graphitic carbon nitride (g-C3N4) sheets.
References
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Accurate and simple analytic representation of the electron-gas correlation energy
John P. Perdew,Yue Wang +1 more
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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Ground state of the electron gas by a stochastic method
David M. Ceperley,Berni J. Alder +1 more
TL;DR: An exact stochastic simulation of the Schroedinger equation for charged Bosons and Fermions was used to calculate the correlation energies, to locate the transitions to their respective crystal phases at zero temperature within 10%, and to establish the stability at intermediate densities of a ferromagnetic fluid of electrons.
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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.