Tunable photocatalytic water splitting and solar-to-hydrogen efficiency in ?-PdSe2monolayer

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dc.contributor.authorJakhar, Mukesh
dc.contributor.authorKumar, Ashok
dc.date.accessioned2024-01-21T10:42:32Z
dc.date.accessioned2024-08-13T12:44:34Z
dc.date.available2024-01-21T10:42:32Z
dc.date.available2024-08-13T12:44:34Z
dc.date.issued2021-08-18T00:00:00
dc.description.abstractDirect production of hydrogen from photocatalytic water splitting is a potential solution to overcome global energy crisis. Herein, based on first-principles calculations, we demonstrate that the two-dimensional ?-PdSe2 monolayer is a promising candidate for efficient photocatalytic water splitting in acidic and alkaline media as well as neutral medium with highly efficient solar-to-hydrogen efficiency. ?-PdSe2 monolayer shows low cleavage energy which endorses the possibility of its mechanical exfoliation from layered bulk ?-PdSe2. Remarkably, ?-PdSe2 monolayer is semiconducting with indirect band gap of 1.96 eV with perfect engulfing the redox potential of water in a wide range of pH of medium. ?-PdSe2 monolayer exhibits good light harvesting ability and adequate driving forces for water redox reaction in wide range of pH (0 to 12). Comprehensive investigation of pH dependent water splitting indicates that the ?-PdSe2 monolayer is a better candidate for efficient water splitting in alkaline media rather than acidic or neutral medium. In addition, high solar-to-hydrogen efficiency as high as ?17% is obtained that shows ?-PdSe2 monolayer a promising candidate for overall photocatalytic water-splitting. � The Royal Society of Chemistry.en_US
dc.identifier.doi10.1039/d1cy00953b
dc.identifier.issn20444753
dc.identifier.urihttp://10.2.3.109/handle/32116/3665
dc.identifier.urlhttp://xlink.rsc.org/?DOI=D1CY00953B
dc.language.isoen_USen_US
dc.publisherRoyal Society of Chemistryen_US
dc.subjectAlkalinityen_US
dc.subjectCalculationsen_US
dc.subjectEnergy gapen_US
dc.subjectEnergy policyen_US
dc.subjectHydrogen productionen_US
dc.subjectRedox reactionsen_US
dc.subjectSolar power generationen_US
dc.subjectAcidic mediaen_US
dc.subjectAlkaline mediaen_US
dc.subjectDirect productionen_US
dc.subjectGlobal energyen_US
dc.subjectNeutral mediumen_US
dc.subjectPhotocatalytic water splittingen_US
dc.subjectProduction of hydrogenen_US
dc.subjectSolar-to-hydrogenen_US
dc.subjectTunablesen_US
dc.subjectWater splittingen_US
dc.subjectMonolayersen_US
dc.titleTunable photocatalytic water splitting and solar-to-hydrogen efficiency in ?-PdSe2monolayeren_US
dc.title.journalCatalysis Science and Technologyen_US
dc.typeArticleen_US
dc.type.accesstypeClosed Accessen_US

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