Surface properties of amorphous nanoporous GeS

G. Ori, M. Celino, C. Massobrio, B. Coasne

Research output: Contribution to conferencePaper

Abstract

In this work molecular simulations are used to probe the gas adsorption properties of amorphous chalcogenide nanopores. A realistic atom-scale model, derived by first-principles calculations, of glassy chalcogenide surface is considered for the present study. Nitrogen adsorption and condensation at 77 K in pores of different widths are simulated for characterization purposes. The adsorption of carbon dioxide, methane, hydrogen, and their mixtures is investigated at 298 K. Analysis of the adsorption data shows nice agreement with the prediction of obtained using the Ideal Adsorbed Solution Theory. A detailed comparison with experimental literature data is also proposed and discussed. We also address the effect of the surface chemistry on the gas adsorption by studying both bare and hydrogenated chalcogenide surfaces. We show here that porous glassy chalcogenide exhibits highly selective gas adsorption properties and can strongly discriminate among gases on the basis of their interaction with the chalcogenide surface.
Original languageEnglish
Publication statusPublished - 2014
EventNanotechnology 2014: Electronics, Manufacturing, Environment, Energy and Water - 2014 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2014 - , United States
Duration: 1 Jan 2014 → …

Conference

ConferenceNanotechnology 2014: Electronics, Manufacturing, Environment, Energy and Water - 2014 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2014
CountryUnited States
Period1/1/14 → …

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All Science Journal Classification (ASJC) codes

  • Hardware and Architecture
  • Electrical and Electronic Engineering
  • Electronic, Optical and Magnetic Materials

Cite this

Ori, G., Celino, M., Massobrio, C., & Coasne, B. (2014). Surface properties of amorphous nanoporous GeS. Paper presented at Nanotechnology 2014: Electronics, Manufacturing, Environment, Energy and Water - 2014 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2014, United States.