First-principles study on the gas sensing properties of Cu clusters (Cun, n = 1,2,3,4) modified Janus MoSeTe for lithium ion thermal runaway gas
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OpenAlex topics: 2D Materials and Applications · MXene and MAX Phase Materials · Gas Sensing Nanomaterials and Sensors
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References (42)
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1. Investigating thermal runaway characteristics and trigger mechanism of the parallel lithium-ion battery10.1016/j.apenergy.2023.121690 ↗
2. A comprehensive review on thermal runaway model of a lithium-ion battery: mechanism, thermal, mechanical, propagation, gas venting and combustion
3. Deciphering the thermal failure mechanism of anode-free Lithium metal pouch batteries
4. Investigating the relationship between internal short circuit and thermal runaway of lithium-ion batteries under thermal abuse condition10.1016/j.ensm.2020.10.020 ↗
5. Safety evaluation of a sodium-ion cell: assessment of vent gas emissions under thermal runaway10.1021/acsenergylett.2c01667 ↗
6. Can the shock wave generated by the thermal runaway of a lithium-metal all-solid-state cell be predicted by material-scale analysis10.1016/j.cej.2024.153234 ↗
7. Thermal runaway propagation behavior of the cell-to-pack battery system, journal of energy
8. Multidimensional signal fusion strategy for battery thermal runaway warning towards multiple application scenarios10.1016/j.apenergy.2024.124512 ↗
9. Mitigating thermal runaway hazard of high-energy lithium-ion batteries by poison agent, journal of energy
10. Multiphysics-informed thermal runaway model for estimating the pressure evolution induced by the gas formation in a lithium-ion battery10.1016/j.applthermaleng.2024.122941 ↗
11. Hydrogen sensors of Ce-doped MoS2 with anti- humidity for early warning thermal runaway in lithium-ion batteries10.1016/j.snb.2024.136988 ↗
12. Surface functionalization of ZnO:Ag columnar thin films with AgAu and AgPt bimetallic alloy nanoparticles as an efficient pathway for highly sensitive gas discrimination and early hazard detection in batteries10.1039/D0TA03224G ↗
13. Potential room temperature Li-ion battery thermal runaway gases sensor based on heterometal-doped CdS monolayer: insights from DFT study10.1016/j.ijhydene.2024.11.177 ↗
14. Electric field effect in atomically thin carbon films |10.1126/science.1102896 ↗
15. Planarity effect of polychlorinated biphenyls adsorption by graphene nanomaterials: the influence of graphene characteristics, solution pH and temperature10.1016/j.cej.2019.01.027 ↗
16. Kagomerization of transition metal monolayers induced by two-dimensional hexagonal boron nitride | nature
17. A first-principles study of SOF2 and SO2F2 adsorption onto PdSe2-based monolayers: Favorable sensitivity and selectivity by doping single cu or rh atom10.1016/j.envres.2025.120843 ↗
18. Ni-decorated WS2-WSe2 heterostructure as a novel sensing candidate upon C2H2 and C2H4 in oil-filled transformers: a first-principles investigation
19. Noble metal (pd, Pt)-functionalized WSe2 monolayer for adsorbing and sensing thermal runaway gases in LIBs: a first-principles investigation10.1016/j.envres.2025.120847 ↗
20. Enhanced Gas-Sensing Properties of Platinum-Doped InSe Monolayers for Lithium-Ion Battery Emission Monitoring:A Comprehensive DFT Analysis10.1021/acs.langmuir.5c00989 ↗
21. Adsorption and sensing properties of transition metal (Ni, rh) modified Janus ReSSe monolayers for lithium-ion battery thermal runaway gases: a first principle study
22. Adsorption properties of dissolved gas molecules in transformer oil on the ReSe2 monolayer: a DFT study10.1021/acs.langmuir.3c03531 ↗
23. Cu or rh-doped InSe monolayers for acid rain gas detection and capture: insights from first-principles calculations10.1016/j.comptc.2025.115281 ↗
24. DFT study of SF6 decomposition species adsorption on Ni-doped InSe monolayer: insights into gas sensing performance10.1016/j.jmgm.2025.109131 ↗
25. Janus monolayer transition-metal dichalcogenides |10.1021/acsnano.7b03186 ↗
26. Anomalous behavior of 2D
27. A Janus MoSSe monolayer: a superior and strain-sensitive gas sensing material10.1039/C8TA08407F ↗
28. Chen · 2025 · 107270
29. Adsorption performance of cu, Zn-decorated Ti3C2O2 for harmful gas molecules in greenhouse environments: a DFT study10.1016/j.diamond.2025.112674 ↗
30. Sensing performance of Fe-doped C3B monolayers for dissolved gases in transformer oil: a comprehensive DFT investigation
31. Tuning the gas sensing properties of ZrS2 monolayers via Pt modification: Insightsfrom DFT simulations10.1021/acs.langmuir.4c05040 ↗
32. Investigating the adsorption performance of agricultural greenhouses hazardous gases on rh doped HfX2 (X=S, se) monolayers through DFT for potential gas sensor applications
33. DFT study of metal (ag, au, Pt)-modified SnS2 for adsorption of SF6 decomposition gases in gas-insulated switchgear10.1021/acs.langmuir.4c00110 ↗
34. Two-terminal MoS2 memristor and the homogeneous integration with a MoS2 transistor for neural networks10.1021/acs.nanolett.2c05007 ↗
35. Spectroscopic signatures of interlayer coupling in Janus MoSSe/MoS2 heterostructures10.1021/acsnano.1c03779 ↗
36. Schleberger Unraveling the influence of defects in Janus MoSSe and Janus alloys MoS2(1−x)Se2x, 2D
37. Thermal runaway propagation behavior of the cell-to-pack battery system, journal of energy
38. First-principles study on Bi2Te2S monolayer for adsorption performance and sensing capability10.1021/acs.langmuir.4c02248 ↗
39. First-principles study on metal-modified N2P6 nanoscale Layersfor adsorption performance and sensing capability10.1021/acsanm.1c03745 ↗
40. First-principles study of gas sensing on B2Se5 monolayer
41. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple
42. First-principles study on the gas sensing properties of precious metal modified(ag, au) Janus MoSeTe for lithium ion thermal runaway gas10.1016/j.seppur.2024.128260 ↗