journal article·2025-04

Electronic, elastic, and thermal properties and fracture toughness of Ti3AC2 (A = Si, Ge, Sn) MAX phases with metal-ceramic properties

Zhengjie Duan, Lin Su, Yonghua Duan, Lishi Ma, Ancang Yang, Linhui Su, Mengnie Li, Yuanhuai He

Ceramics International· Volume 51· Issue 10
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 · 2D Materials and Applications · Boron and Carbon Nanomaterials Research

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

References (86)

Show source-provided references
1. Die Kristallstruktur von Ti3SiC2—ein neuer Komplexcarbid-Typ10.1007/BF00899949 ↗
2. Synthesis and characterization of a remarkable ceramic: Ti3SiC210.1111/j.1151-2916.1996.tb08018.x ↗
3. MAX phases – past, present, and future10.1016/j.mattod.2023.11.010 ↗
4. Corrosion performance of Ti3SiC2, Ti3AlC2, Ti2AlC and Cr2AlC MAX phases in simulated primary water conditions10.1016/j.corsci.2018.04.034 ↗
5. Transparent conductive two-dimensional titanium carbide epitaxial thin films10.1021/cm500641a ↗
6. W-based atomic laminates and their 2D derivative W1.33C MXene with vacancy ordering10.1002/adma.201706409 ↗
7. On the chemical diversity of the MAX phases10.1016/j.trechm.2019.02.016 ↗
8. Recently synthesized (Ti1−xMox)2AlC (0 ≤ x ≤ 0.20) solid solutions: deciphering the structural, electronic, mechanical and thermodynamic properties via ab initio simulations10.1039/D0RA06435A ↗
9. DFT prediction of the stability and physical properties of M2GaB (M = Sc, V, Nb, Ta)10.1016/j.jmrt.2023.05.008 ↗
10. Prediction of phonon-mediated superconductivity in new Ti-based M2AX phases10.1038/s41598-022-17539-8 ↗
11. Beyond metals: theoretical discovery of semiconducting MAX phases and their potential application in thermoelectrics10.1039/D4CP01950D ↗
12. Study of new MAX phase materials: Sc2AX (A= Bi, Br; X=C, N, B) via Ab-initio method, Mater
13. DFT insights into i-MAB phase, Mo4Y2Al3B6: a potential thermal barrier coating and solar heat reducing material10.1088/1402-4896/ad3d90 ↗
14. Prediction of new 212 M2AB2 borides as a promising candidate for future engineering: DFT calculations
15. Screen the thermomechanical and optical properties of the new ductile 314 MAX phase boride Zr3CdB4: a DFT insight10.1016/j.jallcom.2021.160248 ↗
16. Synthesis of two new o-MAX phases Mo2VAlC2 and Mo2V2AlC3 and their derivatives o-MXene Mo2VC2Tx and Mo2V2C3Tx10.1016/j.jeurceramsoc.2024.116964 ↗
17. Discovery of hexagonal ternary phase Ti2InB2 and its evolution to layered boride TiB10.1038/s41467-019-10297-8 ↗
18. Electrical conductivities and mechanical properties of Ti3SiC2 reinforced Cu-based composites prepared by cold spray10.1016/j.jallcom.2023.169473 ↗
19. 7 - electrical properties of MAX phases
20. 25th Anniversary Article: MXenes: a new family of two-dimensional materials10.1002/adma.201304138 ↗
21. Elastic and mechanical properties of the max phases10.1146/annurev-matsci-062910-100448 ↗
22. Anodized Ti3SiC2 as an anode material for Li-ion microbatteries10.1021/acsami.6b03528 ↗
23. Oxidation behavior of Ti3SiC2 at high temperature in air10.1016/S0921-5093(02)00210-1 ↗
24. Formation mechanism for synthesis of Ti3SnC2 MAX phase, Mater
25. Oxidation kinetics of Ti3GeC2 MAX phase10.1016/j.corsci.2019.02.018 ↗
26. Density functional theory
27. Cleavage fracture of ordered intermetallic alloys10.1016/0921-5093(92)90239-W ↗
28. First-principles calculations on electronic structure, adhesion strength, and interfacial stability of Mg(0001)/AlB2(0001) nucleation interface10.1007/s40195-024-01737-6 ↗
29. First-principles simulation: ideas, illustrations and the CASTEP code10.1088/0953-8984/14/11/301 ↗
30. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism10.1103/PhysRevB.41.7892 ↗
31. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
32. Special points for Brillouin-zone integrations10.1103/PhysRevB.13.5188 ↗
33. Relaxation of crystals with the quasi-Newton method10.1006/jcph.1996.5612 ↗
34. Voigt · 1928
35. The elastic behaviour of a crystalline aggregate10.1088/0370-1298/65/5/307 ↗
36. Calculation of the flow limits of mixed crystals on the basis of the plasticity of monocrystals
37. Microscopic theory of hardness and design of novel superhard crystals10.1016/j.ijrmhm.2012.02.021 ↗
38. Simple and accurate model of fracture toughness of solids10.1063/1.5066311 ↗
39. Machinability and brittleness of glass-ceramics10.1016/S0924-0136(96)02275-3 ↗
40. Universal elastic anisotropy index10.1103/PhysRevLett.101.055504 ↗
41. Anisotropy in single-crystal refractory compounds: proceedings of an international symposium on anisotropy in single-crystal refractory compounds, held on june 13–15
42. Physical properties of crystals: their representation by tensors and matrices10.1063/1.3060200 ↗
43. Thermal conductivity of BaPuO3 at temperatures from 300 to 1500K10.1016/j.jnucmat.2011.04.057 ↗
44. Theory of heat conduction in rare-gas crystals10.1103/PhysRev.137.A128 ↗
45. Phase stability, mechanical and thermodynamic properties of orthorhombic and trigonal MgSiN2: an ab initio study10.1080/01411594.2015.1089574 ↗
46. Anisotropic thermal conductivity of the Aurivillus phase, bismuth titanate (Bi4Ti3O12): a natural nanostructured superlattice10.1063/1.2975163 ↗
47. Lower limit to the thermal conductivity of disordered crystals10.1103/PhysRevB.46.6131 ↗
48. Materials design for the next generation thermal barrier coatings10.1146/annurev.matsci.33.011403.113718 ↗
49. Materials selection guidelines for low thermal conductivity thermal barrier coatings10.1016/S0257-8972(02)00593-5 ↗
50. Newly synthesized MAX phase Zr2SeC: DFT insights into physical properties towards possible applications10.1039/D1RA02345D ↗
51. Physical properties of new MAX phase borides M2SB (M = Zr, Hf and Nb) in comparison with conventional MAX phase carbides M2SC (M = Zr, Hf and Nb): comprehensive insights10.1016/j.jmrt.2021.01.068 ↗
52. DFT insights into the new Hf-based chalcogenide MAX phase Hf2SeC10.1016/j.vacuum.2022.111072 ↗
53. DFT insights into Nb-based 211 MAX phase carbides: Nb2AC (A = Ga, Ge, Tl, Zn, P, In, and Cd)10.1039/D2RA07468K ↗
54. Elastic constants versus melting temperature in metals10.1016/0036-9748(84)90267-9 ↗
55. Ab initio study of the structure, elastic, and electronic properties of Ti3(Al1−nSin)C2 layered ternary compounds10.1038/s41598-021-84466-5 ↗
56. Chemical bonding and elastic properties of Ti3AC2 phases (A = Si, Ge, and Sn): a first-principle study10.1016/j.solidstatesciences.2010.03.007 ↗
57. First-principles study of vacancies in Ti3SiC2 and Ti3AlC210.3390/ma10020103 ↗
58. First-principles investigation of the structural, electronic, and thermodynamic properties of M3AC2 MAX phases under varying temperature and pressure
59. Structural, mechanical, electronic and thermodynamic properties of cubic TiC compounds under different pressures: a first-principles study10.1016/j.ssc.2020.113856 ↗
60. Mn+1AXn phases in the Ti-Si-C system studied by thin-film synthesis and ab initio calculations10.1103/PhysRevB.70.165401 ↗
61. Bond lengths in the ternary compounds Ti3SiC2, Ti3GeC2 and Ti2GeC10.1023/A:1004415018691 ↗
62. High-temperature neutron diffraction, Raman spectroscopy, and first-principles calculations of Ti3SnC2 and Ti2SnC10.1111/jace.14210 ↗
63. Experimental synthesis and density functional theory investigation of radiation tolerance of Zr3(Al1-xSix)C2 MAX phases10.1111/jace.14742 ↗
64. Stability, elastic properties and electronic structures of the stable Zr–Al intermetallic compounds: a first-principles investigation10.1016/j.jallcom.2013.12.079 ↗
65. Electronic structure investigation of Ti3AlC2, Ti3SiC2, and Ti3GeC2 by soft-X-ray emission spectroscopy10.1103/PhysRevB.72.245101 ↗
66. Electronic structure and bonding properties in layered ternary carbide Ti3SiC210.1088/0953-8984/12/28/102 ↗
67. A comparative DFT exploration on M- and A-site double transition metal MAX phase, Ti3ZnC2
68. First-principles study of Vickers hardness and thermodynamic properties of Ti3SnC2 polymorphs10.3329/jsr.v7i3.23182 ↗
69. Experimental and DFT investigation of (Cr,Ti)3AlC2 MAX phases stability10.1080/21663831.2016.1222598 ↗
70. First principles study of electronic and elastic properties of Ti3AC2 (A = Si, Sn, Al, Ge) phases10.7498/aps.66.057102 ↗
71. Born · 1996
72. Creation of a boron carbide-based Ti3AlBC (312) MAX phase: a route to novel MXenes for energy storage10.1039/D4CC00660G ↗
73. Newly synthesized Pb-based 312 MAX phases M3PbC2 (M = Zr and Hf): a First-principles study10.1016/j.diamond.2024.111245 ↗
74. First-principles study of electronic, mechanical, and optical properties of M3GaB2 (M = Ti, Hf) MAX phases10.1016/j.heliyon.2024.e33651 ↗
75. First hafnium-based MAX phase in the 312 family, Hf3AlC2: a first-principles study10.1016/j.jallcom.2017.08.151 ↗
76. DFT study on the structural, mechanical, electronic, optical and thermodynamic properties of recently synthesized MAX Phase compounds A3InC2 (A= Zr, Hf) under ambient and elevated pressure
77. On physical and thermochemical properties of high-purity Ti3SiC210.1016/S0167-577X(01)00620-6 ↗
78. Synthesis and mechanical properties of Ti3GeC2 and Ti3(SixGe1−x)C2 (x = 0.5, 0.75) solid solutions10.1016/j.jallcom.2004.01.011 ↗
79. Mechanical properties of nanolaminate Ti3SnC2 carbide determined by nanohardness cartography10.1111/j.1551-2916.2009.03412.x ↗
80. First-principles investigations on Pb–Ba intermetallic compounds10.1016/j.commatsci.2014.05.067 ↗
81. A theoretical investigation on the physical properties of SrPd2Sb2 superconductor10.1007/s10948-021-05823-z ↗
82. First-principles study of structural and electronic properties of C14-type Laves phase Al2Zr and Al2Hf10.1016/j.commatsci.2013.10.029 ↗
83. Structural and anisotropic elastic properties of Zintl M2Pb (M=Ca, Sr and Ba) compounds as a function of pressure10.1016/j.jallcom.2014.06.100 ↗
84. Approximate lattice thermal conductivity of MAX phases at high temperature10.1016/j.jeurceramsoc.2015.04.013 ↗
85. Electronic structure, mechanical properties and thermal conductivity of Ln2Zr2O7 (Ln=La, Pr, Nd, Sm, Eu and Gd) pyrochlore10.1016/j.actamat.2010.11.041 ↗
86. Anisotropic elastic and thermal properties of the double perovskite slab–rock salt layer Ln2SrAl2O7 (Ln=La, Nd, Sm, Eu, Gd or Dy) natural superlattice structure10.1016/j.actamat.2012.03.004 ↗