Sensing properties of Ni-doped boron nitride nanotube to SF6 decomposed components: A DFT study

In this paper, the sensing property of Ni-BNNT to SO2, SOF2 and SO2F2 were investigated based on the DFT method to explore its potential as a chemical gas sensor. Our results show that Ni-doping could significant deform the electronic behavior of the BNNT, reducing its bandgap largely, from 3.712 eV...

Full description

Bibliographic Details
Main Authors: Shoumiao Pi, Xiaoxing Zhang, Dachang Chen, Ju Tang
Format: Article
Language:English
Published: AIP Publishing LLC 2019-09-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/1.5119873