AA- and ABA-stacked carbon nitride (C3N4): novel photocatalytic water splitting solar-to-hydrogen energy conversion

dc.contributor.authorAl-Jaary, Ali H. Reshak
dc.date.accessioned2019-03-04T11:50:40Z
dc.date.available2019-03-04T11:50:40Z
dc.date.issued2018
dc.description.abstract-translatedWe report the development of the C3N4 structure by integrating two different structures: (i) two identical layers as AAstacked C3N4 and (ii) intercalating one different layer between two identical layers as ABA stacked C3N4. This in turn endows C3N4 with significantly promoted charge migration, up-shifted conduction-band (CB) level, enhanced CB potential from -0.89 eV (AA-stacked C3N4) to -1.03 eV (ABA-stacked C3N4), broadened band gap as well as enhanced surface area, all of which favor the enhancement of the photocatalytic performance. The optical absorption level exhibited significant enhancement in the visible light region when shifting from AA-stacked C3N4 to ABA-stacked C3N4, where the absorption edge moves from = 508.1 = 454.1 nm. This corresponds to the direct optical band gap of 2.44 eV 2.73 eV, which is well matched with the solar spectrum and the sufficient negative CB potential for H+/H-2 reduction. Based on these results, we can conclude that AA-stacked and ABA-stacked C3N4 satisfies all the requirements to be efficient photocatalysts. This study will significantly improve the search efficiency and considerably aid the experimentalists in the exploration of novel photocatalysts.en
dc.format8 s.cs
dc.format.mimetypeapplication/pdf
dc.identifier.citationAL-JAARY, A. H. R. AA- and ABA-stacked carbon nitride (C3N4): novel photocatalytic water splitting solar-to-hydrogen energy conversion. Physical chemistry chemical physics, 2018, roč. 20, č. 35, s. 22972-22979. ISSN 1463-9076.en
dc.identifier.document-number445220500057
dc.identifier.doi10.1039/c8cp02898b
dc.identifier.issn1463-9076
dc.identifier.obd43925206
dc.identifier.uri2-s2.0-85053462867
dc.identifier.urihttp://hdl.handle.net/11025/31198
dc.language.isoenen
dc.project.IDED2.1.00/03.0088/CENTEM - Centrum nových technologií a materiálůcs
dc.project.IDLO1402/CENTEM+cs
dc.publisherRoyal Society of Chemistryen
dc.rightsPlný text není přístupný.cs
dc.rights© Royal Society of Chemistryen
dc.rights.accessclosedAccessen
dc.subject.translatedVisible-lighten
dc.subject.translatedband-structureen
dc.subject.translatedelectronic-structureen
dc.subject.translatedpolymorph C3N4en
dc.subject.translateddoped G-C3N4en
dc.subject.translatedphotoreactivityen
dc.subject.translatednanoparticlesen
dc.subject.translatednanosheetsen
dc.subject.translatedevolutionen
dc.subject.translatedprecursoren
dc.titleAA- and ABA-stacked carbon nitride (C3N4): novel photocatalytic water splitting solar-to-hydrogen energy conversionen
dc.typečlánekcs
dc.typearticleen
dc.type.statusPeer-revieweden
dc.type.versionpublishedVersionen

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