Gas sensing characteristics of two-dimensional palladium-based penta-materials

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dc.contributor.affiliationCorrea, J.D., Facultad de Ciencias Básicas, Universidad de Medellín, Medellín, Colombia
dc.contributor.affiliationChico, L., GISC, Departamento de Física de Materiales, Facultad de Ciencias Físicas, Universidad Complutense de Madrid, Madrid, 28040, Spain
dc.contributor.affiliationNuñez, V., Departamento de Física, Universidad Técnica Federico Santa María, Valparaíso, Chile
dc.contributor.affiliationBravo, S., Departamento de Física, Universidad Técnica Federico Santa María, Valparaíso, Chile
dc.contributor.affiliationPacheco, M., Departamento de Física, Universidad Técnica Federico Santa María, Valparaíso, Chile
dc.contributor.authorCorrea J.D
dc.contributor.authorChico L
dc.contributor.authorNuñez V
dc.contributor.authorBravo S
dc.contributor.authorPacheco M.
dc.date.accessioned2024-07-31T21:06:58Z
dc.date.available2024-07-31T21:06:58Z
dc.date.issued2024
dc.descriptionThe experimental discovery of two-dimensional penta-materials PdSe2 and PdPSe has boosted interest in their potential applications. In this work, we present a systematic ab initio study of the electronic properties of penta-PdSe2 and penta-PdPSe as sensors of molecules such as H2, CO, and NO, which are potentially dangerous gases. We find that Pd-based penta-materials are excellent sensors for NO molecules according to the adsorption energies and recovery times. Most importantly, they present a change from semiconducting to metallic behavior upon NO adsorption which points to their potential application for optoelectronic gas sensors © 2024 Elsevier B.V.
dc.identifier.doi10.1016/j.sna.2024.115113
dc.identifier.instnameinstname:Universidad de Medellínspa
dc.identifier.issn9244247
dc.identifier.reponamereponame:Repositorio Institucional Universidad de Medellínspa
dc.identifier.repourlrepourl:https://repository.udem.edu.co/
dc.identifier.urihttp://hdl.handle.net/11407/8429
dc.language.isoeng
dc.publisherElsevier B.V.spa
dc.publisher.facultyFacultad de Ciencias Básicasspa
dc.relation.citationvolume368
dc.relation.isversionofhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85184520624&doi=10.1016%2fj.sna.2024.115113&partnerID=40&md5=23bca246b9e951acf991f9f923538700
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dc.rights.accessrightsinfo:eu-repo/semantics/restrictedAccess
dc.sourceSensors and Actuators A: Physical
dc.sourceSens Actuators A Phys
dc.sourceScopus
dc.subject2Deng
dc.subjectDFTeng
dc.subjectNOeng
dc.subjectPentaeng
dc.subjectSensoreng
dc.subjectElectronic propertieseng
dc.subjectMoleculeseng
dc.subjectPalladiumeng
dc.subjectSelenium compoundseng
dc.subject2deng
dc.subjectAb initio studyeng
dc.subjectCO and NOeng
dc.subjectDFTeng
dc.subjectGas sensing characteristicseng
dc.subjectNOeng
dc.subjectNO moleculeeng
dc.subjectPd-basedeng
dc.subjectPentaeng
dc.subjectTwo-dimensionaleng
dc.subjectPalladium compoundseng
dc.titleGas sensing characteristics of two-dimensional palladium-based penta-materialseng
dc.typearticle
dc.type.localArtículospa
dc.type.versioninfo:eu-repo/semantics/publishedVersion

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