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

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dc.contributor.authorJ.D. Correa
dc.contributor.authorChico Gómez, Leonor María
dc.contributor.authorV. Nuñez
dc.contributor.authorS. Bravo
dc.contributor.authorM. Pacheco
dc.date.accessioned2026-01-26T13:13:25Z
dc.date.available2026-01-26T13:13:25Z
dc.date.issued2024
dc.description© 2024 Elsevier B.V. Contract 120680864729; Grant 1211913.
dc.description.abstractThe experimental discovery of two-dimensional penta-materials PdSe 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-PdSe and penta-PdPSe as sensors of molecules such as H, 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
dc.description.departmentDepto. de Física de Materiales
dc.description.facultyFac. de Ciencias Físicas
dc.description.refereedTRUE
dc.description.sponsorshipMinisterio de Ciencia, Tecnología e Innovación (Colombia)
dc.description.sponsorshipMinisterio de Ciencia e Innovación (España)
dc.description.sponsorshipAgencia Estatal de Investigación (España)
dc.description.sponsorshipEuropean Commission
dc.description.sponsorshipComunidad de Madrid
dc.description.sponsorshipFondo Nacional de Desarrollo Científico y Tecnológico (Chile)
dc.description.statuspub
dc.identifier.citationCorrea, J. D., Chico, L., Nuñez, V., Bravo, S., & Pacheco, M. (2024). Gas sensing characteristics of two-dimensional palladium-based penta-materials. Sensors and Actuators A: Physical, 368, 115113.
dc.identifier.doi10.1016/J.SNA.2024.115113
dc.identifier.essn1873-3069
dc.identifier.issn0924-4247
dc.identifier.officialurlhttps://dx.doi.org/10.1016/J.SNA.2024.115113
dc.identifier.relatedurlhttps://www.sciencedirect.com/science/article/pii/S0924424724001067
dc.identifier.urihttps://hdl.handle.net/20.500.14352/130998
dc.journal.titleSensors and Actuators A: Physical
dc.language.isoeng
dc.page.final115113-10
dc.page.initial115113-1
dc.publisherElsevier
dc.relation.projectIDinfo:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023/PID2022-136285NB-C31/ES/MODELIZACION Y SIMULACION DE FENOMENOS CUANTICOS EMERGENTES EN NANOMATERIALES ROTADOS Y CON INGENIERIA DE SIMETRIAS/
dc.relation.projectIDPR47/21 MAD2D-CM PRTR-CM (PRTR) UCM5/MATERIALES DISRUPTIVOS BIDIMENSIONALES (2D)
dc.rights.accessRightsopen access
dc.subject.cdu538.9
dc.subject.keywordDFT
dc.subject.keyword2D
dc.subject.keywordPenta
dc.subject.keywordSensor
dc.subject.keywordNO
dc.subject.ucmFísica del estado sólido
dc.subject.unesco2211 Física del Estado Sólido
dc.titleGas sensing characteristics of two-dimensional palladium-based penta-materials
dc.typejournal article
dc.type.hasVersionAO
dc.volume.number368
dspace.entity.typePublication
relation.isAuthorOfPublication7a08c3f6-ffae-46af-bdc3-7a8309491c3c
relation.isAuthorOfPublication.latestForDiscovery7a08c3f6-ffae-46af-bdc3-7a8309491c3c

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