Napredna pretraga

Pregled bibliografske jedinice broj: 779207

Reconstructed graphene nanoribbon as a sensor for nitrogen based molecules


Jaiswal, Neeraj K.; Kovačević, Goran; Pivac, Branko
Reconstructed graphene nanoribbon as a sensor for nitrogen based molecules // Applied Surface Science, 357 (2015), 55-59 doi:10.1016/j.apsusc.2015.08.219 (međunarodna recenzija, članak, znanstveni)


Naslov
Reconstructed graphene nanoribbon as a sensor for nitrogen based molecules

Autori
Jaiswal, Neeraj K. ; Kovačević, Goran ; Pivac, Branko

Izvornik
Applied Surface Science (0169-4332) 357 (2015); 55-59

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
Graphene nanoribbon; Reaction mechanism; Conductivity; Density of states; DFT; MP2

Sažetak
The usage of reconstructed zigzag graphene nanoribbon (RZGNR) as a sensor for nitrogen based chemicals is being analyzed. The principle of sensing is based on reaction of nitrogen atom with the edge of RZGNR, which causes a measurable change in electrical properties of the nanoribbon. In order to characterize the RZGNR based sensor, reaction mechanisms of a graphene nanoribbon with an ammonia molecule (NH3) are analyzed in detail by using ab initio and DFT calculations. Ammonia molecule reacts with RZGNR via a two stage reaction. The first stage represents the rate limiting step of the entire reaction and produces a reaction intermediate. The reaction intermediate undergoes proton transfer as a second stage reaction in order to form energetically stable product. The negative differential resistance (NDR) behavior was noticed in our model of RZGNR. Upon reaction with the NH3 molecule, the electronic properties of RZGNR are significantly modified and the observed NDR behavior disappears. Present findings show that adsorption of guest NH3 molecule can be sensed by the change in current passing through the ribbons.

Izvorni jezik
Engleski

Znanstvena područja
Fizika, Kemija



POVEZANOST RADA


Projekt / tema
098-0982886-2866 - Temeljna svojstva nanostruktura i defekata u poluvodičima i dielektricima (Branko Pivac, )
HRZZ-IP-2013-11-6135 - Poluvodičke kvantne strukture za napredne sklopove (Branko Pivac, )

Ustanove
Institut "Ruđer Bošković", Zagreb

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


Citati