Pregled bibliografske jedinice broj: 1227698
Sarin chemisorbent based on cobalt-doped graphene
Sarin chemisorbent based on cobalt-doped graphene // Applied surface science, 480 (2019), 759-764 doi:10.1016/j.apsusc.2019.02.021 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 1227698 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Sarin chemisorbent based on cobalt-doped graphene
Autori
Jaiswal, Neeraj K. ; Kovačević, Goran
Izvornik
Applied surface science (0169-4332) 480
(2019);
759-764
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
Graphene ; Sarin ; Chemisorption ; Density functional theory ; Band structure ; Equilibrium constant
Sažetak
Ion bombardment on graphene sheets can produce atomic vacancies that can trap metal atoms. In this paper, we demonstrated that these trapped metal atoms can effectively bind other molecules with heteroatoms, making them chemisorbed to the graphene. The trapped cobalt atom can bind sarin molecule through fluorine atom with dissociation energy significantly higher than the one bonded via oxygen atom. This suggests that it can displace water molecule and therefore pledge for sarin chemisorbent in atmospheric environment. Our investigations also revealed that metallic character is enhanced upon sarin adsorption unlike the bonding of water molecule with trapped metal atom in graphene lattice which causes an opening of small (0.02 eV) band gap. Present findings can have promising application towards detecting the presence of toxic sarin molecules.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
Citiraj ovu publikaciju:
Časopis indeksira:
- Current Contents Connect (CCC)
- Web of Science Core Collection (WoSCC)
- Science Citation Index Expanded (SCI-EXP)
- SCI-EXP, SSCI i/ili A&HCI
- Scopus
