First-principles calculation of electronic properties and diffusion barriers of Sc2CCl2 and Sc2CF2 for metal (Li, Na, K) ion batteries
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OpenAlex topics: MXene and MAX Phase Materials · Advancements in Battery Materials · 2D Materials and Applications
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References (55)
Show source-provided references
1. All 2D materials as electrodes for high power hybrid energy storage applications10.1088/2053-1583/aaad29 ↗
2. Progress and challenges in electrochemical energy storage devices: Fabrication, electrode material, and economic aspects10.1016/j.cej.2023.143706 ↗
3. The control of lithium-ion batteries and supercapacitors in hybrid energy storage systems for electric vehicles: a review10.1002/er.7150 ↗
4. L. J. Hardwick, In situ Raman microscopy of insertion electrodes for lithium-ion batteries and supercapacitors, Ph. D Thesis No. 16992, ETH Zurich, 2007.
5. Nanostructured anode materials for non-aqueous lithium Ion hybrid capacitors10.1002/eem2.12009 ↗
6. A review of rechargeable batteries for portable electronic devices10.1002/inf2.12000 ↗
7. Conductive two-dimensional titanium carbide ‘clay’ with high volumetric capacitance10.1038/nature13970 ↗
8. Radiation effects in Mn+1AXn phases10.1063/5.0019284 ↗
9. Formation of Ti2AlN nanolaminate films by multilayer-deposition and subsequent rapid thermal annealing10.1016/j.matlet.2012.05.055 ↗
10. Plasmonic MXene-based nanocomposites exhibiting photothermal therapeutic effects with lower acute toxicity than pure MXene
11. Covalent stabilization and functionalization of MXene via silylation reactions with improved surface properties10.1016/j.flatc.2019.100128 ↗
12. Cytotoxicity of MXene-based nanomaterials for biomedical applications: A mini review10.1016/j.envres.2021.111592 ↗
13. Recent progress on 2D metal carbide/nitride (MXene) nanocomposites for lithium-based batteries10.1016/j.flatc.2021.100281 ↗
14. Advances and challenges in 2D MXenes: From structures to energy storage and conversions10.1016/j.nantod.2021.101273 ↗
15. A review on optoelectronic device applications of 2D transition metal carbides and nitrides
16. Unique lead adsorption behavior of activated hydroxyl group in two-dimensional titanium carbide10.1021/ja500506k ↗
17. Flexible and conductive MXene films and nanocomposites with high capacitance10.1073/pnas.1414215111 ↗
18. Charge-and size-selective ion sieving through Ti3C2Tx MXene membranes10.1021/acs.jpclett.5b01895 ↗
19. Two-dimensional vanadium carbide (MXene) as a high-capacity cathode material for rechargeable aluminum batteries10.1021/acsnano.7b05350 ↗
20. Cation intercalation and high volumetric capacitance of two-dimensional titanium carbide10.1126/science.1241488 ↗
21. Ti3C2 MXene co-catalyst on metal sulfide photo-absorbers for enhanced visible-light photocatalytic hydrogen production10.1038/ncomms13907 ↗
22. Metallic MXenes: a new family of materials for flexible triboelectric nanogenerators10.1016/j.nanoen.2017.11.044 ↗
23. Electromagnetic interference shielding with 2D transition metal carbides (MXenes)10.1126/science.aag2421 ↗
24. Porous cryo-dried MXene for efficient capacitive deionization10.1016/j.joule.2018.02.018 ↗
25. MXene for energy storage: present status and future perspectives10.1088/2515-7655/ab9b1d ↗
26. Roles of MXenes in biomedical applications: recent developments and prospects
27. A review of the structural design of anode materials in sodium-ion batteries based on MXenes and their composites10.3390/batteries9010048 ↗
28. Vanadium carbide (V4C3) MXene as an efficient anode for Li-ion and Na-ion batteries10.3390/nano12162825 ↗
29. Synthesis and lithium ion storage performance of two-dimensional V4C3 MXene10.1016/j.cej.2019.05.037 ↗
30. Two-dimensional Ti3C2 as anode material for Li-ion batteries10.1016/j.elecom.2014.07.026 ↗
31. Functional group modification and bonding characteristics of Ti3C2 MXene-organic composites from first-principles calculations10.1002/cphc.202100450 ↗
32. Functionalized MXenes as effective polyselenide immobilizers for lithium-selenium batteries: A density functional theory (DFT) study10.1039/D0NR02296A ↗
33. Halogenated Ti3C2 MXene as high capacity electrode material for Li-ion batteries10.15541/jim20210550 ↗
34. Tuning the electrochemical performance of Ti3C2 and Hf3C2 monolayer by functional groups for metal-ion battery applications10.1039/D0NR07899A ↗
35. Room-temperature stationary sodium-ion batteries for large-scale electric energy storage10.1039/c3ee40847g ↗
36. Potassium secondary cell based on Prussian blue cathode10.1016/j.jpowsour.2003.08.007 ↗
37. New insights into carbon-based and MXene anodes for Na and K-ion storage: A review10.1016/j.jechem.2021.04.031 ↗
38. Ca2C MXene monolayer as a superior anode for metal-ion batteries10.1088/2053-1583/abf233 ↗
39. Nickel Hexacyanoferrate nanoparticle electrodes for aqueous Sodium and Potassium ion batteries10.1021/nl203193q ↗
40. Computational study of novel semiconducting Sc2CT2 (T = F, Cl, Br) MXenes for visible-light photocatalytic water splitting10.3390/ma14164739 ↗
41. Theoretical exploration of the potential applications of Sc-based MXenes10.1039/C7CP06224A ↗
42. DFT insights into the electronic structure, mechanical behaviour, lattice dynamics and defect processes in the first Sc-based MAX phase Sc2SnC10.1038/s41598-022-18336-z ↗
43. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
44. Semiempirical GGA-type density functional constructed with a long-range dispersion correction10.1002/jcc.20495 ↗
45. From ultrasoft pseudopotentials to the projector augmented-wave method10.1103/PhysRevB.59.1758 ↗
46. Atomic scale insights into ethanol oxidation on Pt, Pd and Au metallic nanofilms: A DFT with van der Waals interactions10.1016/j.apsusc.2013.10.074 ↗
47. Theoretical insight into the electronic, optical, and photocatalytic properties and quantum capacitance of Sc2CT2 (T= F, P, Cl, Se, Br, O, Si, S, OH) MXenes10.1016/j.vacuum.2022.111615 ↗
48. Computational studies on the structural, electronic and optical properties of M2CT2 (M= Y, Sc and T= F, Cl) MXene monolayer10.1016/j.jallcom.2020.157982 ↗
49. Theoretical study on Fe2C MXene as electrode material for secondary battery10.1016/j.chemphys.2021.111223 ↗
50. A comparative study of M2CS2 and M2CO2 MXenes as anode materials for lithium ion batteries10.1016/j.apsusc.2020.148861 ↗
51. Enhancement of electrochemical performance of monolayer SnS2 for Li/Na-ion batteries through a sulphur vacancy: a DFT study10.1007/s10008-023-05518-6 ↗
52. The research on the electrochemical performance of Li2FeSiO4/mgx and Li2FeSiO4/cux10.1080/24701556.2020.1842767 ↗
53. A review of the electrochemical performance of alloy anodes for lithium-ion batteries10.1016/j.jpowsour.2010.07.020 ↗
54. Lithium diffusion in the spinel phase Li4Ti5O12 and in the rocksalt phase Li7Ti5O12 of lithium titanate from first principles10.1103/PhysRevB.89.174301 ↗
55. Ultrafast and directional diffusion of Lithium in phosphorene for high-performance Lithium-ion battery10.1021/nl504336h ↗