Electronic and transport properties of BN sheet on adsorption of amine (NH2) group

Author

Bhat, Chetan ; BrajPuriya, Ranjeet ; Mishra, Pankaj ; Jain, Sumit Kunar ; Srivastava, Anurag

Author_Institution

Amity Sch. of Eng. Technol., Amity Univ., Noida, India

fYear

2014

fDate

15-17 Dec. 2014

Firstpage

1

Lastpage

4

Abstract

In this paper, interactions of amine group (NH₂) with pristine Boron Nitride sheet (BN sheet) has been investigated using a density functional theory based ab-initio approach. Stability and electronic properties have been analysed at distinct positions of NH₂ on 2-D Boron Nitrite sheet. It has been observed that on placing the NH₂ group at the centre of the hexagon of the BN sheet, it becomes metallic. However, for other positions significant decrease in the band gap is observed which means that BN sheet is highly sensitive to amine group. Further, non equilibrium greens function (NEFG) has been utilized to validate the sensing of NH₂ by BN sheet on best suitable site in terms of current- voltage relationship.

Keywords

Green´s function methods; III-V semiconductors; ab initio calculations; adsorption; boron compounds; chemical sensors; density functional theory; energy gap; organic compounds; wide band gap semiconductors; BN; NH₂ sensor; ab initio calculation; amine group adsorption; band gap; current-voltage relationship; density functional theory; electronic properties; hexagon boron nitride sheet; metallic phase; nonequilibrium Green´s function method; stability properties; transport properties; Adsorption; Boron; Bridges; Educational institutions; Graphene; Photonic band gap; Sensors; Amine group; Boron Nitride Sheet; Conductance; Sensor; ab-initio;

fLanguage

English

Publisher

ieee

Conference_Titel

Industrial and Information Systems (ICIIS), 2014 9th International Conference on

Conference_Location

Gwalior

Print_ISBN

978-1-4799-6499-4

Type

conf

DOI

10.1109/ICIINFS.2014.7036653

Filename

7036653