MgTe for efficient adsorption of lithium-ion battery fault gases (H2, CO, and CO2) and failure risk index calculation: A DFT computational study
Bibliographic record
Abstract
No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.
Source: Not provided · Quality: missing
Research context
OpenAlex topics: Electronic and Structural Properties of Oxides · ZnO doping and properties · Gas Sensing Nanomaterials and Sensors
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (55)
Show source-provided references
1. Thermal runaway and fire of electric vehicle lithium-ion battery and contamination of infrastructure facility10.1016/j.rser.2022.112474 ↗
2. A review of safety strategies of a Li-ion battery10.1016/j.jpowsour.2020.228649 ↗
3. Influences of multi factors on thermal runaway induced by overcharging of lithium-ion battery10.1016/j.jechem.2022.03.011 ↗
4. Effects of the battery enclosure on the thermal behaviors of lithium-ion battery module during thermal runaway propagation by external-heating10.1016/j.est.2022.104002 ↗
5. Effects of charging rates on heat and gas generation in lithium-ion battery thermal runaway triggered by high temperature coupled with overcharge10.1016/j.jpowsour.2024.234237 ↗
6. Research on the effect of thermal runaway gas components and explosion limits of lithium-ion batteries under different charge states10.1016/j.est.2021.103759 ↗
7. Gas sensing technology for the detection and early warning of battery thermal runaway: a review10.1021/acs.energyfuels.2c01121 ↗
8. MFe2O4 (M = Ni, Co) nanoparticles anchored on amorphous carbon coated multiwalled carbon nanotubes as anode materials for lithium-ion batteries10.1016/j.carbon.2017.07.092 ↗
9. Multiwalled carbon nanotubes@C@SnO2 quantum dots and SnO2 quantum dots@C as high rate anode materials for lithium-ion batteries10.1016/j.apsusc.2017.06.215 ↗
10. Conductive BSi4 monolayer with superior electrochemical performance for alkali metal ion batteries10.1016/j.mssp.2023.108086 ↗
11. Unlocking the intercalation mechanism of blue phosphorene/MBene heterostructures for lithium/sodium-ion batteries: a first principles study10.1016/j.molliq.2024.125528 ↗
12. Metallic VS2/blue phosphorene heterostructures as promising anode materials for high-performance lithium ion batteries: a first principles study10.1016/j.apsusc.2020.147478 ↗
13. Intrinsic and Ag-doped graphdiyne as a two-dimensional material gas sensing detector for the detection of SF6 decomposition products10.1016/j.apsusc.2022.155276 ↗
14. Adsorption and sensing performances of transition metal (Ag, Pd, Pt, Rh, and Ru) modified WSe2 monolayer upon SF6 decomposition gases (SOF2 and SO2F2)10.1016/j.apsusc.2021.152365 ↗
15. Two-dimensional Janus B2P6 as potential gas sensors for NO and NO2 detection: a first-principles study10.1016/j.matchemphys.2023.128497 ↗
16. Research on the application of Ti-MoTe2 in cable condition assessment as gas sensor: a First-principles study
17. Gas sensors with two-dimensional rGO@COF composite materials for fast NO2 detection under room temperature10.1021/acsami.3c10304 ↗
18. High pressure study of structural and electronic properties of magnesium telluride10.1016/j.jpcs.2006.02.017 ↗
19. Preparation and properties of MgxZn1−xTe,” J10.1149/1.2408236 ↗
20. High-pressure studies of MgTe using first-principle electronic-structure calculations10.1103/PhysRevB.60.11846 ↗
21. Thermal conductivity of magnesium telluride (MgTe) - a first principles study10.1016/j.ssc.2021.114414 ↗
22. A DFT study of detection of toxic gases (Cl2, SO2, HCHO, NH3) by SnS2 monolayer modified with Ag2O(1,2) cluster
23. Cu-decorated HfS2 and Cu-embedded HfS2 for adsorption and gas sensing of lithium-ion thermal runaway gases: a DFT study
24. Adsorption behavior of CuO doped GeS monolayer on the thermal runaway gas evolution in lithium battery energy storage systems
25. Adsorption and sensing mechanism of B-doped MoSi2N4 monolayer towards hazardous gases: a DFT investigation
26. Selective adsorption of coalbed methane on multilayer defective graphene nanostructures and their Mn-modified nanostructures: a DFT study
27. A comparative study of NH3 and H2S sensing performance on monolayer nanosheets through first-principle studies10.1016/j.colsurfa.2024.133997 ↗
28. DFT investigation of Pt-doped CTF-1 covalent triazine frameworks for adsorption and sensing of SF6 decomposition products
29. A DFT investigation for the Dopamine adsorption on the pristine and defected blue arsenic-phosphorus monolayers
30. Effect of biaxial strain and vacancy defects in 2D MoS2 monolayer for the sensing of nitrobenzene: a DFT investigation
31. Docking of COVID-19 main protease and TD-DFT/DMOl3 simulated method, synthesis, and characterization with hybrid nanocomposite thin films and its applications
32. Exploring effects of strain on newly synthesised two-dimensional polyaramid for hydrogen storage using DFT
33. Investigation of the mechanisms and adsorption of a new pyrazole derivative against corrosion of carbon steel in hydrochloric acid solution: experimental methods and theoretical calculations10.1016/j.colsurfa.2023.132771 ↗
34. Zn-decorated S, P, B co-doped C2N nanosheet for ibuprofen adsorption: experimental and density functional theory calculation10.1016/j.colsurfa.2023.132702 ↗
35. Semiconductive (Cu–S)n metal–organic frameworks hybrid polyaniline nanocomposites as hydrogen sulfide gas sensor
36. Preparation and some physical properties of magnesium telluride single crystals10.1016/0022-0248(71)90239-9 ↗
37. High pressure study of structural and electronic properties of magnesium telluride10.1016/j.jpcs.2006.02.017 ↗
38. Adsorption behavior of metal oxides (CuO, NiO, Ag2O) modified GeSe monolayer towards dissolved gases (CO, CH4, C2H2, C2H4) in transformer oil10.1016/j.jiec.2022.05.006 ↗
39. Electronic structure and optical properties of AFeO2 (A = Ag, Cu) within GGA calculations10.1021/cm062481c ↗
40. Doping in ZnSe, ZnTe, MgSe, and MgTe wide-band-gap semiconductors10.1103/PhysRevLett.72.534 ↗
41. DFT study of Cu-modified and Cu-embedded WSe2 monolayers for cohesive adsorption of NO2, SO2, CO2, and H2S10.1016/j.apsusc.2022.152522 ↗
42. Intrinsic and Ag-doped graphdiyne as a two-dimensional material gas sensing detector for the detection of SF6 decomposition products10.1016/j.apsusc.2022.155276 ↗
43. Detection of H2S, HF and H2 pollutant gases on the surface of penta-PdAs2 monolayer using DFT approach10.1038/s41598-023-27563-x ↗
44. Adsorption of industrial gases (CH4, CO2, and CO) on olympicene: A DFT and CCSD(T) investigation10.1021/acsomega.2c01796 ↗
45. Adsorption performance of CO, NO and NH3 hazardous gas molecules over B9N9 and Al9N9 nanorings: Acumen from density functional theory10.1016/j.matchemphys.2023.128565 ↗
46. Selective and tunable H2 adsorption/sensing performance of W-doped graphene under external electric fields: a DFT study10.1016/j.ijhydene.2022.06.259 ↗
47. Pt-doped HfS2 monolayer as a novel sensor and scavenger for dissolved gases (H2, CO2, CH4, and C2H2) in transformer oil: a density functional theory study10.1021/acs.langmuir.3c02110 ↗
48. A comparative DFT study on the adsorption properties of lithium batteries thermal runaway gases CO, CO2, CH4 and C2H4 on pristine and Au doped CdS monolayer
49. Gas-sensing properties of Pb, Pd modified C3N4 for SF6 decomposition products detection: a DFT study10.1016/j.chemphys.2023.111898 ↗
50. Adsorption and gas-sensing properties of SF6 decomposition components (SO2, SOF2 and SO2F2) on Co or Cr modified GeSe monolayer: a DFT study
51. Gas sensitive analysis of composite MoS2(001) surface to air discharge products: a dft study10.1109/JSEN.2023.3305335 ↗
52. Operando monitoring of thermal runaway in commercial lithium-ion cells via advanced lab-on-fiber technologies10.1038/s41467-023-40995-3 ↗
53. Investigating thermal runaway characteristics and trigger mechanism of the parallel lithium-ion battery10.1016/j.apenergy.2023.121690 ↗
54. TiO2 and Ag2O decorated GeTe monolayer as a highly sensitive material for SF6 decomposition species detection10.1109/JSEN.2023.3298137 ↗
55. First-principles study of SnS for small gas-sensing applications10.1007/s11664-023-10818-8 ↗