First-Principles Evaluation of Volatile Organic Compounds Degradation in Z-Scheme Photocatalytic Systems: MXene and Graphitic-CN Heterostructures

2021 ◽  
Author(s):  
Junhui Zhou ◽  
Didi Li ◽  
Weina Zhao ◽  
Binghua Jing ◽  
Zhimin Ao ◽  
...  
Keyword(s):  
Volatile Organic Compounds ◽  
Organic Compounds ◽  
First Principles ◽  
Volatile Organic

scholarly journals Effects of external electric field on the sensing property of volatile organic compounds over Janus MoSSe monolayer: a first-principles investigation

RSC Advances ◽  
2021 ◽  
Vol 11 (53) ◽  
pp. 33276-33287
Author(s):  
Chen-Hao Yeh ◽  
Yu-Tang Chen ◽  
Dah-Wei Hsieh
Keyword(s):  
Volatile Organic Compounds ◽  
Transition Metal ◽  
Electric Field ◽  
External Electric Field ◽  
Organic Compounds ◽  
First Principles ◽  
Asymmetric Structure ◽  
Transition Metal Dichalcogenide ◽  
Volatile Organic ◽  
New Generation

Janus 2D transition metal dichalcogenide (TMD) is a new generation 2D material with a unique asymmetric structure.

Engineering of the interactions of volatile organic compounds with MoS2

2017 ◽  
Vol 5 (6) ◽  
pp. 1463-1470 ◽  
Author(s):  
Xiao-Qing Tian ◽  
Lin Liu ◽  
Xiang-Rong Wang ◽  
Ya-Dong Wei ◽  
Juan Gu ◽  
...  
Keyword(s):  
Volatile Organic Compounds ◽  
Transition Metal ◽  
Organic Compounds ◽  
First Principles ◽  
Volatile Organic ◽  
First Principles Method

We investigate the interactions between volatile organic compounds (VOCs, including ethanol, acetone and propanal) and pristine, defective and transition metal-functionalized MoS2using the first-principles method.

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