journal article·2024-01

Role of –O functional groups at the Ti3C2O2(MXene)/Al interface in enhancing the mechanical properties of aluminum matrix composites: A first-principles study

Guocai Lv, Wenjuan Qian, Hao Zhang, Ye Su, Ping Qian

Publisher page

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: MXene and MAX Phase Materials · Aluminum Alloys Composites Properties · 2D Materials and Applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (60)

Show source-provided references
1. Superior light metals by texture engineering: Optimized aluminum and magnesium alloys for automotive applications10.1016/j.actamat.2012.10.044 ↗
2. Recent development in aluminium alloys for aerospace applications10.1016/S0921-5093(99)00674-7 ↗
3. 3D printing of Aluminium alloys: Additive Manufacturing of Aluminium alloys using selective laser melting10.1016/j.pmatsci.2019.100578 ↗
4. Metal-matrix composites for space applications10.1007/s11837-001-0139-z ↗
5. Metal matrix composites – From science to technological significance10.1016/j.compscitech.2005.05.027 ↗
6. Characterization of hybrid aluminum matrix composites for advanced applications – A review10.1016/j.jmrt.2015.05.004 ↗
7. Magnesium matrix composites for biomedical applications: A review10.1016/j.jma.2018.11.001 ↗
8. MXene based advanced materials for thermal energy storage: A recent review10.1016/j.est.2021.102322 ↗
9. Recent progress in aluminum metal matrix composites: A review on processing, mechanical and wear properties10.1016/j.jmapro.2020.09.010 ↗
10. Preparation and characterization of carbon nanotubes/aluminum matrix composites10.1016/j.matlet.2006.07.119 ↗
11. Novel aluminum-graphene and aluminum-graphite metallic composite materials: Synthesis and properties10.1016/j.jallcom.2015.12.084 ↗
12. Reinforcement with carbon nanotubes in aluminum matrix composites10.1016/j.scriptamat.2008.04.006 ↗
13. Fracture and Fatigue in Graphene Nanocomposites Small Weinh
14. Effect of functional groups on the agglomeration of graphene in nanocomposites10.1016/j.compscitech.2018.05.016 ↗
15. Strengthening mechanisms in carbon nanotube-reinforced aluminum composites10.1016/j.carbon.2015.08.112 ↗
16. Two-dimensional nanocrystals produced by exfoliation of Ti3AlC210.1002/adma.201102306 ↗
17. 25th anniversary article: MXenes: A new family of two-dimensional materials10.1002/adma.201304138 ↗
18. Selective etching of silicon from Ti3 SiC2 (MAX) to obtain 2D titanium carbide (MXene)10.1002/anie.201802232 ↗
19. Guidelines for synthesis and processing of two-dimensional titanium carbide (Ti3C2Tx MXene)10.1021/acs.chemmater.7b02847 ↗
20. 2D metal carbides and nitrides (MXenes) for energy storage10.1038/natrevmats.2016.98 ↗
21. Two-dimensional transition metal carbides10.1021/nn204153h ↗
22. Covalent surface modifications and superconductivity of two-dimensional metal carbide MXenes10.1126/science.aba8311 ↗
23. S.A. Jasim J.M. Hadi M.J.C. Opulencia Y.S. Karim A.B. Mahdi M.M. Kadhim B. D.o., A.T. Jalil, Y.F. Mustafa, K.T. Falih, MXene/metal and polymer nanocomposites: Preparation, properties, and applications Journal of Alloys and Compounds 917 2022 165404 10.1016/j.jallcom.2022.165404.10.1016/j.jallcom.2022.165404 ↗
24. Preparations and applications of MXene–metal composites: A review10.3390/coatings12040516 ↗
25. Chemical stability of Ti3C2 MXene with Al in the temperature range 500–700 °C
26. Mechanical properties and frictional resistance of Al composites reinforced with Ti3C2Tx MXene10.1016/j.cclet.2019.09.004 ↗
27. Preparation, microstructure and tensile properties of two dimensional MXene reinforced copper matrix composites10.1016/j.msea.2020.140699 ↗
28. Significant strengthening effect in few-layered MXene-reinforced Al matrix composites10.1080/21663831.2020.1861120 ↗
29. Enhanced Mg/graphene interface adhesion using intermediate MgO layers: First-principles prediction and analysis10.1016/S1003-6326(22)65808-4 ↗
30. Understanding the thermal conductivity of Diamond/Copper composites by first-principles calculations10.1016/j.carbon.2019.03.051 ↗
31. G.K. A, J. Furthmüller b, Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set - ScienceDirect Computational Materials Science 6 1996 15 50 10.1016/0927-0256(96)00008-0.10.1016/0927-0256(96)00008-0 ↗
32. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
33. Ab initio molecular dynamics for liquid metals10.1103/PhysRevB.47.558 ↗
34. From ultrasoft pseudopotentials to the projector augmented-wave method10.1103/PhysRevB.59.1758 ↗
35. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
36. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
37. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu10.1063/1.3382344 ↗
38. Effect of the damping function in dispersion corrected density functional theory10.1002/jcc.21759 ↗
39. Continuous germanene layer on Al(111)10.1021/acs.nanolett.5b00085 ↗
40. Intercalation and delamination of layered carbides and carbonitrides10.1038/ncomms2664 ↗
41. First-principles study of the Al(001)-Al3Nb(001) interfacial properties10.1016/j.susc.2016.12.001 ↗
42. First principles study of two-dimensional early transition metal carbides10.1557/mrc.2012.25 ↗
43. Converged properties of clean metal surfaces by all-electron first-principles calculations10.1016/j.susc.2005.12.008 ↗
44. Prediction of mobility, enhanced storage capacity, and volume change during sodiation on interlayer-expanded functionalized Ti3C2 MXene anode materials for sodium-ion batteries10.1021/acs.jpcc.5b10366 ↗
45. Semiempirical atomic potentials for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, Al, and Pb based on first and second nearest-neighbor modified embedded atom method10.1103/PhysRevB.68.144112 ↗
46. Surface energies, work functions, and surface relaxations of low-index metallic surfaces from first principles10.1103/PhysRevB.80.235407 ↗
47. Atomic insight into the interfacial bonding and role of carbon atoms on β-SiC(1 1 1)/Al2MgC2(0 0 0 1): A first-principles study10.1016/j.apsusc.2020.145633 ↗
48. Influence of α-Al2O3 (0001) surface reconstruction on wettability of Al/Al2O3 interface: A first-principle study10.1016/j.commatsci.2013.12.059 ↗
49. Structural evolution mechanism during 3D printing of MXene-reinforced metal matrix composites10.1016/j.coco.2021.101034 ↗
50. Origins of the universal binding-energy relation10.1103/PhysRevB.37.6632 ↗
51. Metal-ceramic adhesion and the harris functional10.1103/PhysRevLett.72.4021 ↗
52. The ideal strength of tungsten10.1080/01418610108216634 ↗
53. The synergistic mechanism of graphene and MoS2 for hydrogen generation: Insights from density functional theory10.1039/C5CP00011D ↗
54. Building up a picture of the electrocatalytic nitrogen reduction activity of transition metal single-atom catalysts10.1021/jacs.9b03811 ↗
55. LOBSTER: Local orbital projections, atomic charges, and chemical-bonding analysis from projector-augmented-wave-based density-functional theory10.1002/jcc.26353 ↗
56. The crystal orbital hamilton population (COHP) method as a tool to visualize and analyze chemical bonding in intermetallic compounds10.3390/cryst8050225 ↗
57. A simple measure of electron localization in atomic and molecular systems10.1063/1.458517 ↗
58. P. Fuentealba E. Chamorro J.C. Santos Chapter 5 Understanding and using the electron localization function in: A. Toro-Labbé (Ed.) Theor. Comput. Chem., Elsevier, 2007 57 85 10.1016/S1380-7323(07)80006-9.10.1016/S1380-7323(07)80006-9 ↗
59. Electron localization in molecules and solids: The meaning of ELF
60. Optical response, lithiation and charge transfer in Sn-based 211 MAX phases with electron localization function10.1016/j.jmrt.2022.03.083 ↗