Interplay of orbital and relativistic effects in bismuth oxyhalides: BiOF, BiOCl, BiOBr, and BiOI
TLDR
The larger EA of BiOI also results in a reduced overpotential for O2/oxygen anion splitting and can explain why BiOi is not as active for the degradation of rhodamine B than BiOBr and BiOCl.Abstract:
The optoelectronic properties of bismuth oxyhalides have led to their utility in applications such as pigments in the cosmetics industry,1,2 pharmaceuticals,3,4 phosphors,5 gas sensors,6 and catalysis.7,8 Over the past decade, interest in this family of materials has rapidly increased, fuelled by reports of their excellent photocatalytic activity.9−16 They have been studied as stand-alone photocatalysts,9,10,17 quaternary alloys,18,19 and interfaced with other photocatalytically active materials.20−22 To date, however, an understanding of the chemical trends underpinning these successes is lacking.read more
Citations
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Journal ArticleDOI
Solar Water Splitting and Nitrogen Fixation with Layered Bismuth Oxyhalides.
TL;DR: The layered structures of bismuth oxyhalides can stimulate an internal electric field that is capable of efficiently separating electrons and holes after their formation and of precisely channeling their migration from the bulk to the surface along the different directions, thus enabling more electrons to reach the surface for water splitting and nitrogen fixation.
Journal Article
Electronic structure of hybrid halide perovskite photovoltaic absorbers
TL;DR: In this article, the authors analyzed the electronic structure and optical properties of perovskite solar cells based on CH3NH3PbI3 with the quasiparticle self-consistent GW approximation.
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Beyond methylammonium lead iodide: prospects for the emergent field of ns2 containing solar absorbers
TL;DR: This review looks beyond MAPI to other ns2 solar absorbers, with the aim of identifying those materials likely to achieve high efficiencies, and discusses the ideal properties essential to produce highly efficient solar cells.
Journal ArticleDOI
Bismuth-rich bismuth oxyhalides for environmental and energy photocatalysis
TL;DR: In this article, the authors provide a concise summary on bismuth oxyhalides, including synthesis, modification and photocatalytic application of BixOyXz photocatalyst.
Journal ArticleDOI
Enhanced photocatalytic degradation of bisphenol A by Co-doped BiOCl nanosheets under visible light irradiation
Chu-Ya Wang,Ying-Jie Zhang,Wei-Kang Wang,Dan-Ni Pei,Gui-Xiang Huang,Jie-Jie Chen,Xing Zhang,Han-Qing Yu +7 more
TL;DR: In this article, a Co-doped Bismuth oxychloride (BiOCl) nanosheets were prepared using a simple hydrothermal route and the doped Co expanded the light absorption region and enhanced the charge separation efficiency by forming a doping energy level in the band gap of BiOCl.
References
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From ultrasoft pseudopotentials to the projector augmented-wave method
Georg Kresse,Daniel P. Joubert +1 more
TL;DR: In this paper, the formal relationship between US Vanderbilt-type pseudopotentials and Blochl's projector augmented wave (PAW) method is derived and the Hamilton operator, the forces, and the stress tensor are derived for this modified PAW functional.
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Georg Kresse,Jürgen Hafner +1 more
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Hybrid functionals based on a screened Coulomb potential
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