Interaction of Boron-Nitrogen Substitued Graphene Nanoribbon with Nucleobases: The Idea of Biosensor

Bhattacharya, Barnali; Singh, Ngangbam Bedamani; Sarkar, Utpal

doi:10.4236/snl.2013.34a012

Cited by 3 publications

(1 citation statement)

References 11 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…42 The graphene nanoribbon doped with boron-nitrogen has exhibited different transmission signals for the NBs. 43 In addition to graphene, the theoretical study on the interaction of NBs with silicene (silicon as reactive center) has revealed that it can be useful for DNA sequencing. 44 The adsorption strength of NBs with the surface of silicene is governed by SiÁ Á ÁH (non-covalent) and SiÁ Á ÁO (partial covalent) interactions.…”

Section: Introductionmentioning

confidence: 99%

Interaction of nucleobases with silicon doped and defective silicon doped graphene and optical properties

Mudedla

Balamurugan

Kamaraj

et al. 2016

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

The interaction of nucleobases (NBs) with the surface of silicon doped graphene (SiGr) and defective silicon doped graphene (dSiGr) has been studied using electronic structure methods. A systematic comparison of the calculated interaction energies (adsorption strength) of NBs with the surface of SiGr and dSiGr with those of pristine graphene (Gr) has also been made. The doping of graphene with silicon increases the adsorption strength of NBs. The introduction of defects in SiGr further enhances the strength of interaction with NBs. The appreciable stability of complexes (SiGr-NBs and dSiGr-NBs) arises due to the partial electrostatic and covalent (Si···O(N)) interaction in addition to π-π stacking. The interaction energy increases with the size of graphene models. The strong interaction between dSiGr-NBs and concomitant charge transfer causes significant changes in the electronic structure of dSiGr in contrast to Gr and SiGr. Further, the calculated optical properties of all the model systems using time dependent density functional theory (TD-DFT) reveal that absorption spectra of SiGr and dSiGr undergo appreciable changes after adsorption of NBs. Thus, the significant variations in the HOMO-LUMO gap and absorption spectra of dSiGr after interaction with the NBs can be exploited for possible applications in the sensing of DNA nucleobases.

show abstract

Section: Introductionmentioning

confidence: 99%