RT Journal Article
T1 Gas sensing characteristics of two-dimensional palladium-based penta-materials
A1 J.D. Correa, 
A1 Chico Gómez, Leonor María
A1 V. Nuñez, 
A1 S. Bravo, 
A1 M. Pacheco, 
AB The 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
PB Elsevier
SN 0924-4247
YR 2024
FD 2024
LK https://hdl.handle.net/20.500.14352/130998
UL https://hdl.handle.net/20.500.14352/130998
LA eng
NO Correa, 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.
NO © 2024 Elsevier B.V.Contract 120680864729;Grant 1211913.
NO Ministerio de Ciencia, Tecnología e Innovación (Colombia)
NO Ministerio de Ciencia e Innovación (España)
NO Agencia Estatal de Investigación (España)
NO European Commission
NO Comunidad de Madrid
NO Fondo Nacional de Desarrollo Científico y Tecnológico (Chile)
DS Docta Complutense
RD 18 mar 2026