scholarly journals Quantum interference effects in biphenyl dithiol for gas detection

RSC Advances ◽  
2016 ◽  
Vol 6 (64) ◽  
pp. 59299-59304 ◽  
Author(s):  
Jariyanee Prasongkit ◽  
Alexandre R. Rocha

Biphenyl dithiol (BPDT) was examined for the detection of NO, NO2, NH3 and CO gas molecules using the first-principle methods. The quantum interference effects were observed in the transmission, revealing the application of BPDT as a gas sensor.

RSC Advances ◽  
2020 ◽  
Vol 10 (4) ◽  
pp. 2073-2074
Author(s):  
Anton Grigoriev ◽  
Hassan Jafri ◽  
Klaus Leifer

We find from our calculations that the binding energies for the NO2 molecules, calculated in this paper, are too low, most likely due to the lacking optimization of the site at which the gas molecule binds to the BPDT.


2001 ◽  
Vol 75 (1-2) ◽  
pp. 56-61 ◽  
Author(s):  
Ji Haeng Yu ◽  
Gyeong Man Choi
Keyword(s):  

2001 ◽  
Vol 80 (1) ◽  
pp. 21-27 ◽  
Author(s):  
Won Jae Moon ◽  
Ji Haeng Yu ◽  
Gyeong Man Choi
Keyword(s):  

2019 ◽  
Vol 300 ◽  
pp. 127040 ◽  
Author(s):  
Seongbin Hong ◽  
Yoonki Hong ◽  
Yujeong Jeong ◽  
Gyuweon Jung ◽  
Wonjun Shin ◽  
...  
Keyword(s):  

RSC Advances ◽  
2020 ◽  
Vol 10 (5) ◽  
pp. 2560-2561
Author(s):  
Jariyanee Prasongkit

We reply to the Comment by Leifer et al. on our publication [Prasongkit et al., RSC Adv., 2016, 64, 59299]. We maintain that, as biphenyl is non-reactive, low binding energies are expected when gases are adsorbed on biphenyl dithiol.


2019 ◽  
Vol 8 (2S8) ◽  
pp. 1883-1888

This paper presents hazardous gas detection using gas sensors arrays and fuzzy-based classification. This research is an automation of hazardous gas detection using electronic nose. Gases surround us could either hazard or benefit our health. Gas detection is an important issue, as humans should not breathe in hazardous gases in order to maintain their health. Hence, there must be an indicator to show the hazardous level of certain gases so that people can avoid and minimize the impact on their health. In this paper, hazardous gas detection is implemented by using gas sensor arrays and fuzzy-based classification. A classification for the electronic nose (e-nose) is developed in order to classify gases and determine the level of hazard of gases. The results found that e-nose system is able to differentiate hazardous level of chosen gases which are LP gas and CO gas.


RSC Advances ◽  
2016 ◽  
Vol 6 (86) ◽  
pp. 82793-82800 ◽  
Author(s):  
Tianxing Wang ◽  
Rumeng Zhao ◽  
Xu Zhao ◽  
Yipeng An ◽  
Xianqi Dai ◽  
...  

A gas sensor of common gas molecules, such as CO, H2O, NH3, O2, NO and NO2 on a WSe2 monolayer is investigated systematically by using first-principle calculations.


2021 ◽  
Vol 42 (4) ◽  
pp. 573-576
Author(s):  
Xinyan Xia ◽  
Shiying Guo ◽  
Lili Xu ◽  
Tingting Guo ◽  
Zhenhua Wu ◽  
...  

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