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Theoretical prediction of nonmetal-doping effects on the photocatalytic performance of graphite-like carbon nitrides

نویسنده:
الناز رنج بخش
,
محمد ایزدیار
,
علی نخعی پور
,
Elnaz Ranjbakhsh
,
Mohammad Izadyar
,
Ali Nakhaei Pour
سال
: 2018
چکیده: Because of the importance of reducing greenhouse gases, especially CO2, and their utilization in the generation of materials that are being used as a source of energy, the investigation of photocatalytic processes of graphite-like carbon nitrides is of great interest, from the theoretical viewpoint. In comparison to the metal-containing visible-light photocatalysts, such as oxide, sulfide and oxynitride, graphitic carbon nitride, g-C3N4, (Fig. 1), has been regarded as a highly potential photocatalytic material under solar light irradiation because of its low cost, unique chemical stability, environmentally benign and tunable. In this study, the effect of nonmetal, sulfur and phosphorus, doping on the structural and electronic properties of two-dimension g-C3N4 sheet was calculated by the first principle method. Our results demonstrated that the doping with nonmetal impurities increases the separation of photogenerated electron−hole pairs. Furthermore, doping with nonmetal impurities improves the photocatalytic activity of the CO2 conversion.
یو آر آی: http://libsearch.um.ac.ir:80/fum/handle/fum/3398312
کلیدواژه(گان): CO2 conversion,photocatalytic performance,doping effect
کالکشن :
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    Theoretical prediction of nonmetal-doping effects on the photocatalytic performance of graphite-like carbon nitrides

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contributor authorالناز رنج بخشen
contributor authorمحمد ایزدیارen
contributor authorعلی نخعی پورen
contributor authorElnaz Ranjbakhshfa
contributor authorMohammad Izadyarfa
contributor authorAli Nakhaei Pourfa
date accessioned2020-06-06T14:28:38Z
date available2020-06-06T14:28:38Z
date copyright7/17/2018
date issued2018
identifier urihttp://libsearch.um.ac.ir:80/fum/handle/fum/3398312
description abstractBecause of the importance of reducing greenhouse gases, especially CO2, and their utilization in the generation of materials that are being used as a source of energy, the investigation of photocatalytic processes of graphite-like carbon nitrides is of great interest, from the theoretical viewpoint. In comparison to the metal-containing visible-light photocatalysts, such as oxide, sulfide and oxynitride, graphitic carbon nitride, g-C3N4, (Fig. 1), has been regarded as a highly potential photocatalytic material under solar light irradiation because of its low cost, unique chemical stability, environmentally benign and tunable. In this study, the effect of nonmetal, sulfur and phosphorus, doping on the structural and electronic properties of two-dimension g-C3N4 sheet was calculated by the first principle method. Our results demonstrated that the doping with nonmetal impurities increases the separation of photogenerated electron−hole pairs. Furthermore, doping with nonmetal impurities improves the photocatalytic activity of the CO2 conversion.en
languageEnglish
titleTheoretical prediction of nonmetal-doping effects on the photocatalytic performance of graphite-like carbon nitridesen
typeConference Paper
contenttypeExternal Fulltext
subject keywordsCO2 conversionen
subject keywordsphotocatalytic performanceen
subject keywordsdoping effecten
identifier linkhttps://profdoc.um.ac.ir/paper-abstract-1069520.html
identifier articleid1069520
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