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

Sensors and Actuators A: Physical, ISSN: 0924-4247, Vol: 368, Page: 115113
2024
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Article Description

The experimental discovery of two-dimensional penta-materials PdSe 2 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 2 and penta-PdPSe as sensors of molecules such as H 2, 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

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