Adsorption of carbon dioxide and ammonia in transition metal–doped boron nitride nanotubes
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-019-4235-9
Abstract: Density functional theory calculations were carried out to analyze the performance of single-walled boron nitride nanotubes (BNNT) doped with Ni, Pd, and Pt as a sensor of CO2 and NH3. Binding energies, equilibrium distances, charge… read more here.
Keywords: adsorption; boron nitride; adsorption carbon; carbon dioxide ... See more keywords