scholarly journals In-plane graphene/boron nitride heterostructures and their potential application as toxic gas sensors

RSC Advances ◽  
2021 ◽  
Vol 11 (52) ◽  
pp. 32810-32823
Author(s):  
Jannatul Mawwa ◽  
Siraj Ud Daula Shamim ◽  
Shamima Khanom ◽  
Md Kamal Hossain ◽  
Farid Ahmed

DFT methods were used to study the surface geometry of in-plane 2D graphene/BN heterostructures and their effects on the adsorption properties.

RSC Advances ◽  
2016 ◽  
Vol 6 (2) ◽  
pp. 1253-1259 ◽  
Author(s):  
Jing Lin ◽  
Lulu Xu ◽  
Yang Huang ◽  
Jie Li ◽  
Weijia Wang ◽  
...  

Ultrafine porous boron nitride nanofibers with high aspect ratios, high specific surface areas and large pore volumes has been synthesized in large quantity via a freeze-drying and post pyrolysis process.


2019 ◽  
Vol 134 (3) ◽  
Author(s):  
I. Kruglenko ◽  
J. Burlachenko ◽  
D. Grynko ◽  
O. Belyaev

2018 ◽  
Vol 81 ◽  
pp. 89-95 ◽  
Author(s):  
Xiaobo Wang ◽  
Yanfei Yang ◽  
Guodong Jiang ◽  
Zewei Yuan ◽  
Songdong Yuan

2012 ◽  
Author(s):  
Sunyong Hwang ◽  
Hyunah Kwon ◽  
Sameer Chhajed ◽  
Jiseong Im ◽  
Sang Ho Oh ◽  
...  

Coatings ◽  
2019 ◽  
Vol 9 (6) ◽  
pp. 390 ◽  
Author(s):  
Tianhan Liu ◽  
Hongbo Qin ◽  
Daoguo Yang ◽  
Guoqi Zhang

For the purpose of exploring the application of two-dimensional (2D) material in the field of gas sensors, the adsorption properties of gas molecules, CO, CO2, CH2O, O2, NO2, and SO2 on the surface of monolayered tin selenium in β phase (β-SnSe) has been researched by first principles calculation based on density functional theory (DFT). The results indicate that β-SnSe sheet presents weak physisorption for CO and CO2 molecules with small adsorption energy and charge transfers, which show that a β-SnSe sheet is not suitable for sensing CO and CO2. The adsorption behavior of CH2O molecules adsorbed on a β-SnSe monolayer is stronger than that of CO and CO2, revealing that the β-SnSe layer can be applied to detect CH2O as physical sensor. Additionally, O2, NO2, and SO2 are chemically adsorbed on a β-SnSe monolayer with moderate adsorption energy and considerable charge transfers. All related calculations reveal that β-SnSe has a potential application in detecting and catalyzing O2, NO2, and SO2 molecules.


2019 ◽  
Vol 1 (2) ◽  
pp. 772-780 ◽  
Author(s):  
Hao Cui ◽  
Guozhi Zhang ◽  
Xiaoxing Zhang ◽  
Ju Tang

Using first-principles theory, we investigated the most stable configuration for the Rh dopant on a MoSe2 monolayer, and the interaction of the Rh-doped MoSe2 (Rh-MoSe2) monolayer with four toxic gases (CO, NO, NO2 and SO2) to exploit the potential application of the Rh-MoS2 monolayer as a gas sensor or adsorbent.


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