Single Rh atom decorated pristine and S-defected PdS2 monolayer for sensing thermal runaway gases in a lithium-ion battery: A first-principles study
S Zhai, X Jiang, D Wu, L Chen, Y Su, H Cui, F Wu - Surfaces and Interfaces, 2023 - Elsevier
This work using the first-principles theory studies the physicochemical properties Rh-
decorated pristine and S-defected PdS 2 monolayer, named Rh@ PdS 2 and Rh-PdS 2 …
decorated pristine and S-defected PdS 2 monolayer, named Rh@ PdS 2 and Rh-PdS 2 …
TiO2 Gas Sensors Combining Experimental and DFT Calculations: A Review
Z Yan, Y Zhang, W Kang, N Deng, Y Pan, W Sun, J Ni… - Nanomaterials, 2022 - mdpi.com
Gas sensors play an irreplaceable role in industry and life. Different types of gas sensors,
including metal-oxide sensors, are developed for different scenarios. Titanium dioxide is …
including metal-oxide sensors, are developed for different scenarios. Titanium dioxide is …
CVD-fabricated Co3O4-Co3S4 heterojunction for ultra-sensitive detection of CO in SF6 discharge decomposition products
M Tang, D Zhang, Y Sun, Q Chen, Y Chen, G Xi… - Sensors and Actuators B …, 2024 - Elsevier
SF 6-insulated electrical equipment will produce CO gas when it fails. Therefore, effective
detection of CO gas can determine whether SF 6-insulated electrical equipment is operating …
detection of CO gas can determine whether SF 6-insulated electrical equipment is operating …
Two-dimensional FePc and MnPc monolayers as promising materials for SF6 decomposition gases detection: Insights from DFT calculations
Z Nie, C Wang, R Xue, G Xie, H Xiong - Applied Surface Science, 2023 - Elsevier
Research on promising materials with good performance for detecting or removing the
potent greenhouse gas sulfur hexafluoride (SF 6) is critical for environmental preservation …
potent greenhouse gas sulfur hexafluoride (SF 6) is critical for environmental preservation …
TiO2–Doped GeSe Monolayer: A highly selective gas sensor for SF6 decomposed species detection based on DFT method
The detection of SF 6 decomposition species has been a crucial method of fault diagnosis
for insulation equipment. Faced with problems of poor selectivity, low sensitivity and non …
for insulation equipment. Faced with problems of poor selectivity, low sensitivity and non …
Adsorption and gas-sensing performances of C2H2, C2H4, CO, H2 in transformer oil on Pt-doped MoTe2 monolayer: A DFT study
T Jiang, W Zhang, T Zhang, H Yuan, M Bi… - Physica E: Low …, 2023 - Elsevier
In this paper, the DFT method is employed to analyze the sensing and adsorption
performance intrinsic MoTe 2 and Pt doped MoTe 2 to the characteristic oil dissolved gases …
performance intrinsic MoTe 2 and Pt doped MoTe 2 to the characteristic oil dissolved gases …
Adsorption behaviors, electronic and gas-sensing properties of C3N4 monolayers and heterojunctions for SF6 decomposition products
X Yuan, Y Yong, Q Hou, S Hu, R Gao, Y Kuang - Applied Surface Science, 2023 - Elsevier
We investigated systematically adsorption behaviors, electronic and gas-sensing properties
of SF 6 decomposed gases, ie, H 2 S, SO 2, HF, SOF 2 and SO 2 F 2, on the C 3 N 4 …
of SF 6 decomposed gases, ie, H 2 S, SO 2, HF, SOF 2 and SO 2 F 2, on the C 3 N 4 …
Highly sensitive and selective gas sensors based on nanoporous CN monolayer for reusable detection of NO, H2S and NH3: a first-principles study
Y Yong, W Zhang, Q Hou, R Gao, X Yuan, S Hu… - Applied Surface …, 2022 - Elsevier
To explore the possibility of the nanoporous CN (p-CN) monolayers as high-performance
gas sensors, the adsorption, electronic properties and gas-sensing performance of various …
gas sensors, the adsorption, electronic properties and gas-sensing performance of various …
Adsorption of NO2, NO, NH3, and CO on Noble Metal (Rh, Pd, Ag, Ir, Pt, Au)-Modified Hexagonal Boron Nitride Monolayers: A First-Principles Study
Y Zhang, C Qin, L Zhu, Y Wang, J Cao - Langmuir, 2023 - ACS Publications
To investigate the application of modified hexagonal boron nitride (h-BN) in the detection
and monitoring of harmful gases (NO2, NO, NH3, and CO), first-principles calculations are …
and monitoring of harmful gases (NO2, NO, NH3, and CO), first-principles calculations are …
Highly sensitive and selective sensing-performance of 2D Co-decorated phthalocyanine toward NH3, SO2, H2S and CO molecules
H Zhang, Y Ma, H Xiong, G Deng, L Yang, Z Nie - Surfaces and Interfaces, 2023 - Elsevier
Developing excellent sensing-materials for detecting and monitoring toxic gases in the air is
significant for environmental monitoring and industrial emission evaluation. Herein, the first …
significant for environmental monitoring and industrial emission evaluation. Herein, the first …