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

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

Research output: Contribution to journalArticlepeer-review


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 languageEnglish
Article number115113
JournalSensors and Actuators A: Physical
StatePublished - 1 Apr 2024


  • 2D
  • DFT
  • NO
  • Penta
  • Sensor

Product types of Minciencias

  • A1 article - Q1


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