scholarly journals Ab initio thermodynamic study of the SnO2(110) surface in an O2 and NO environment: a fundamental understanding of the gas sensing mechanism for NO and NO2

2016 ◽  
Vol 18 (46) ◽  
pp. 31566-31578 ◽  
Author(s):  
Song-Nam Hong ◽  
Yun-Hyok Kye ◽  
Chol-Jun Yu ◽  
Un-Gi Jong ◽  
Gum-Chol Ri ◽  
...  
Keyword(s):  
Phase Diagram ◽  
Ab Initio ◽  
Gas Sensing ◽  
Thermodynamic Study ◽  
Thermodynamic Method ◽  
Sensing Mechanism ◽  
Fundamental Understanding ◽  
Gas Environment

We determine the phase diagram of the SnO2(110) surface in contact with an O2 and NO gas environment by means of an ab initio thermodynamic method.

First-principle atomistic thermodynamic study on the early-stage corrosion of NiCr alloy under fluoride salt environment

2018 ◽  
Vol 20 (45) ◽  
pp. 28832-28839 ◽  
Author(s):  
Ya-Ru Yin ◽  
Cui-Lan Ren ◽  
Han Han ◽  
Jian-Xing Dai ◽  
Hao Wang ◽  
...  
Keyword(s):  
Ab Initio ◽  
Early Stage ◽  
Thermodynamic Study ◽  
Thermodynamic Method ◽  
Alloy Surface ◽  
First Principle ◽  
Fluoride Salt ◽  
Nicr Alloy ◽  
Morphology Change

The atomic morphology change in the NiCr alloy surface induced by fluorine-chemisorption was investigated by the ab initio atomistic thermodynamic method to elucidate early-stage corrosion processes of nickel-based alloys in strong oxidizing environment.

Ethanol Gas Sensing Mechanism in ZnO Nanowires: An ab Initio Study

2014 ◽  
Vol 118 (42) ◽  
pp. 24533-24537 ◽  
Author(s):  
K. K. Korir ◽  
A. Catellani ◽  
G. Cicero
Keyword(s):  
Ab Initio ◽  
Gas Sensing ◽  
Zno Nanowires ◽  
Ab Initio Study ◽  
Sensing Mechanism

New developments in the ab initio determination of transition metal alloys phase diagram

1993 ◽  
Vol 90 ◽  
pp. 249-254 ◽  
Author(s):  
C Wolverton ◽  
M Asta ◽  
S Ouannasser ◽  
H Dreyssé ◽  
D de Fontaine
Keyword(s):  
Phase Diagram ◽  
Transition Metal ◽  
Ab Initio ◽  
Metal Alloys ◽  
New Developments ◽  
Transition Metal Alloys

scholarly journals Explosive Molecule Sensing at Lattice Defect Sites in Metallic Carbon Nanotubes

2021 ◽  
Author(s):  
Manasi Doshi ◽  
Eric Paul Fahrenthold
Keyword(s):  
Carbon Nanotubes ◽  
Carbon Nanotube ◽  
Experimental Research ◽  
Gas Sensing ◽  
Lattice Defect ◽  
Sensing Mechanism ◽  
Defect Sites ◽  
Chemiresistive Sensing ◽  
Hazardous Gas

Explosives and hazardous gas sensing using carbon nanotube (CNT) based sensors has been a focus of considerable experimental research. The simplest sensors have employed a chemiresistive sensing mechanism, and rely...

Gas-sensing mechanism of Cr doped SnP3 monolayer to SF6 partial discharge decomposition components

2021 ◽  
Vol 546 ◽  
pp. 149084
Author(s):  
Yupeng Liu ◽  
Qu Zhou ◽  
Hongwan Mi ◽  
Jingxuan Wang ◽  
Wen Zeng
Keyword(s):  
Gas Sensing ◽  
Partial Discharge ◽  
Sensing Mechanism

The nano-composite of Co-doped g-C3N4 and ZnO sensors for the rapid detection of BTEX gases: stability studies and gas sensing mechanism

2020 ◽  
Vol 56 (8) ◽  
pp. 5041-5052
Author(s):  
Leqi Hu ◽  
Fuchao Jia ◽  
Shuo Wang ◽  
Xingyan Shao ◽  
Xiaomei Wang ◽  
...  
Keyword(s):  
Rapid Detection ◽  
Gas Sensing ◽  
Stability Studies ◽  
Nano Composite ◽  
Sensing Mechanism ◽  
Co Doped
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