Resumen
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.
Idioma original | Inglés |
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Número de artículo | 115113 |
Publicación | Sensors and Actuators A: Physical |
Volumen | 368 |
DOI | |
Estado | Publicada - 1 abr. 2024 |
Tipos de productos de Minciencias
- Artículo A1 - Q1