Please use this identifier to cite or link to this item: http://idr.nitk.ac.in/jspui/handle/123456789/15700
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dc.contributor.authorAntil B.
dc.contributor.authorKumar L.
dc.contributor.authorRanjan R.
dc.contributor.authorShenoy S.
dc.contributor.authorTarafder K.
dc.contributor.authorGopinath C.S.
dc.contributor.authorDeka S.
dc.date.accessioned2021-05-05T10:27:44Z-
dc.date.available2021-05-05T10:27:44Z-
dc.date.issued2021
dc.identifier.citationACS Applied Energy Materials Vol. , , p. -en_US
dc.identifier.urihttps://doi.org/10.1021/acsaem.0c02858
dc.identifier.urihttp://idr.nitk.ac.in/jspui/handle/123456789/15700-
dc.description.abstractThe emerging metal-free carbon nitride (C3N4) offers prominent possibilities for realizing the highly effective hydrogen evolution reaction (HER). However, its poor surface conductivity and insufficient catalytic sites hinder the HER performance. Herein, a one-dimensional vermicular rope-like graphitic carbon nitride nanostructure is demonstrated that consists of multichannel tubular pores and high nitrogen content, which is fabricated through a cost-effective approach having the final stoichiometry g-C3N4.7 for HER application. The present g- C3N4.7 is unique owing to the presence of abundant channels for the diffusion process, modulated surface chemistry with richelectroactive sites from N-electron lone pairs, greatly reduced recombination rate of photoexcited exciton pairs, and a high donor concentration (4.26 × 1017 cm3). The catalyst offers a visible-light-driven photocatalytic H2 evolution rate as high as 4910 μ mol h-1 g-1 with an apparent quantum yield of 14.07% at band gap absorption (2.59 eV, 479 nm) under 7.68 mW cm-2 illumination. The number of hydrogen gas molecules produced is 1.307 × 1015 s-1 cm-2, which remained constant for a minimum of 18 h of repeated cycling in the HER without any degradation of the catalyst. In density functional theory calculations, a significant change in the band offset is observed due to N doping into the system in favor of electron catalysis. The theoretical band gap of a monolayer of g-C3N4.7 was enormously reduced because of the presence of additional densities of states from the doped N atom inside the band gap. These impurity or donor bands are formed inside the band gap region, which ultimately enhance the hydrogen ion reduction reaction enormously. © 2021 American Chemical Society.en_US
dc.titleOne-dimensional multichannel g-C3N4.7nanostructure realizing an efficient photocatalytic hydrogen evolution reaction and its theoretical investigationsen_US
dc.typeArticleen_US
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