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

J. D. Correa; Leonor Chico; V. Nuñez; S. Bravo; M. Pacheco

doi:10.1016/j.sna.2024.115113

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

J. D. Correa, Leonor Chico, V. Nuñez, S. Bravo, M. Pacheco

Materials with Impact Research Group (MAT&MPAC)

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

Abstract

The 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.

Original language	English
Article number	115113
Journal	Sensors and Actuators A: Physical
Volume	368
DOIs	https://doi.org/10.1016/j.sna.2024.115113
State	Published - 1 Apr 2024

Keywords

2D
DFT
NO
Penta
Sensor

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10.1016/j.sna.2024.115113

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title = "Gas sensing characteristics of two-dimensional palladium-based penta-materials",

abstract = "The 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.",

keywords = "2D, DFT, NO, Penta, Sensor",

author = "Correa, {J. D.} and Leonor Chico and V. Nu{\~n}ez and S. Bravo and M. Pacheco",

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T1 - Gas sensing characteristics of two-dimensional palladium-based penta-materials

AU - Correa, J. D.

AU - Chico, Leonor

AU - Nuñez, V.

AU - Bravo, S.

AU - Pacheco, M.

PY - 2024/4/1

Y1 - 2024/4/1

N2 - The 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.

AB - The 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.

KW - 2D

KW - DFT

KW - NO

KW - Penta

KW - Sensor

UR - http://www.scopus.com/inward/record.url?scp=85184520624&partnerID=8YFLogxK

U2 - 10.1016/j.sna.2024.115113

DO - 10.1016/j.sna.2024.115113

M3 - Artículo

AN - SCOPUS:85184520624

SN - 0924-4247

VL - 368

JO - Sensors and Actuators A: Physical

JF - Sensors and Actuators A: Physical

M1 - 115113

ER -

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

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Keywords

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