DFT study of adsorption properties of the ammonia on both pristine and Si-doped graphene nanoflakes

Author:

Bardan Kareem H.,Ajeel Fouad N.ORCID,Mohammed Mohammed H.,Khudhair Alaa M.,Ahmed Ali Ben

Publisher

Elsevier BV

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1. Sensing of SO3, SO2, H2S, NO2 and N2O toxic gases through aza-macrocycle via DFT calculations;Siddique;Computational and Theoretical Chemistry,2022

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3. Monitoring of COS, SO2, H2S, and CS2 gases by Al24P24 nanoclusters: a DFT inspection;Wang;J. Mol. Model.,2023

4. Halogen-free deep eutectic solvents with multiple active sites for efficient absorption of ammonia;Shao;Sep. Purif. Technol.,2024

5. Pyridine derivatives as hydrogen bond acceptors to prepare deep eutectic solvents for ammonia storage;Wang;Int. J. Hydrogen. Energy,2023

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