Sensing properties of monolayer borophane nanosheet towards alcohol vapors: A first-principles study

2017 ◽  
Vol 73 ◽  
pp. 208-216 ◽  
Author(s):  
V. Nagarajan ◽  
R. Chandiramouli
Keyword(s):  
First Principles ◽  
Sensing Properties ◽  
First Principles Study

Dioxin sensing properties of graphene and hexagonal boron nitride based van der Waals solids: a first-principles study

RSC Advances ◽  
2016 ◽  
Vol 6 (108) ◽  
pp. 107114-107126 ◽  
Author(s):  
M. Kamaraj ◽  
J. Vijaya Sundar ◽  
V. Subramanian
Keyword(s):  
Boron Nitride ◽  
Dft Calculations ◽  
Electronic Properties ◽  
First Principles ◽  
Hexagonal Boron Nitride ◽  
Van Der Waals ◽  
Two Dimensional ◽  
Sensing Properties ◽  
First Principles Study

The changes in the electronic properties of single and bilayers of graphene and hexagonal boron nitride two dimensional sheets have been investigated upon interaction with 2,3,7,8-tetrachlorodibenzo-p-dioxin by employing the DFT calculations.

scholarly journals Improving gas sensing properties of graphene by introducing dopants and defects: a first-principles study

2009 ◽  
Vol 20 (18) ◽  
pp. 185504 ◽  
Author(s):  
Yong-Hui Zhang ◽  
Ya-Bin Chen ◽  
Kai-Ge Zhou ◽  
Cai-Hong Liu ◽  
Jing Zeng ◽  
...  
Keyword(s):  
First Principles ◽  
Gas Sensing ◽  
Sensing Properties ◽  
First Principles Study ◽  
Gas Sensing Properties

Gas Sensing Properties of Defective Tellurene on the Nitrogen Oxides: A First-principles Study

2021 ◽  
pp. 112766
Author(s):  
Ziwei Xu ◽  
Zhenzhen Shi ◽  
Mingyuan Wang ◽  
Ruofei Song ◽  
Xiangzhao Zhang ◽  
...  
Keyword(s):  
Nitrogen Oxides ◽  
First Principles ◽  
Gas Sensing ◽  
Sensing Properties ◽  
First Principles Study ◽  
Gas Sensing Properties
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