Anisotropic magnon transport in vanadium-doped Ti2C MXenes
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Abstract
Abstract The properties of magnons hosted in the pristine and doped two-dimensional Ti 2 C MXene are theoretically explored as a function of the vanadium doping concentration. By replacing Titanium (Ti) ions with vanadium (V) ones, we obtain the corresponding magnon bands for the different magnetic states formed by systematically varying the vanadium (V) doping concentration. Linear response theory is used to compute the magnon transport coefficients as a function of the doping concentration and temperature. We found that doping has a considerable effect on the symmetries present in the system, allowing for changes in the spin wave stiffness tensor. As a result, a Hall-like transverse magnon transport emerges despite the absence of Berry curvature or topological signatures, whose origin lies in changes in the crystal main axis, thereby introducing anisotropic magnon transport. Our results suggest that doping magnetic Ti 2 C MXenes with vanadium could pave the way towards MXenes-based spin caloritronic systems with tunable anisotropy and directional heat/spin control.
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Research context
OpenAlex topics: MXene and MAX Phase Materials · 2D Materials and Applications · Heusler alloys: electronic and magnetic properties
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References (66)
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1. Naguib, M., Barsoum, M. W. & Gogotsi, Y. Ten years of progress in the synthesis and development of MXenes. Adv. Mater. 33, 2103393 (2021).10.1002/adma.202103393 ↗
2. Jiang, J. et al. Improving stability of MXenes. Nano Res. 15, 6551–6567 (2022).10.1007/s12274-022-4312-8 ↗
3. VahidMohammadi, A., Rosen, J. & Gogotsi, Y. The world of two-dimensional carbides and nitrides (MXenes). Science 372, eabf1581 (2021).10.1126/science.abf1581 ↗
4. Gogotsi, Y. The future of MXenes. Chem Mater 35, 8767–8770 (2023).10.1021/acs.chemmater.3c02491 ↗
5. Naguib, M. et al. Two-dimensional nanocrystals produced by exfoliation of Ti3AlC2. Adv. Mater. 23, 4248–4253 (2011).10.1002/adma.201102306 ↗
6. Anasori, B., Lukatskaya, M. R. & Gogotsi, Y. 2D metal carbides and nitrides (MXenes) for energy storage. Nat. Rev. Mater. 2, 16098 (2017).10.1038/natrevmats.2016.98 ↗
7. Li, N. et al. Double transition metal carbides MXenes (D-MXenes) as promising electrocatalysts for hydrogen reduction reaction: ab initio calculations. ACS Omega 6, 23676–23682 (2021).10.1021/acsomega.1c00870 ↗
8. Bai, S. et al. Recent advances of MXenes as electrocatalysts for hydrogen evolution reaction. npj 2D Mater. Appl. 5, 78 (2021).10.1038/s41699-021-00259-4 ↗
9. Hanan, A., Nazim Lakhan, M., Walvekar, R., Khalid, M. & Prakash, C. Heteroatom-doped MXenes as electrocatalysts for hydrogen evolution reaction: a review on the recent advances, mechanisms and prospects. Chem. Eng. J. 483, 149107 (2024).10.1016/j.cej.2024.149107 ↗
10. Lee, D.-E., Husain, A., Anwar, K., Danish, M. & Jo, W.-K. Next-generation MXenes and organic frameworks in coordination with metal sulfides for high-efficiency hydrogen generation: a chemistry benchmark review. Coord. Chem. Rev. 545, 217022 (2025).10.1016/j.ccr.2025.217022 ↗
11. Zehtab Salmasi, M., Omidkar, A., Nguyen, H. M. & Song, H. MXenes as electrocatalysts for hydrogen production through the electrocatalytic water splitting process: A mini review. Energy Rev. 3, 100070 (2024).10.1016/j.enrev.2024.100070 ↗
12. Kali, S. R., Meghana, V., Madhushree, R., SD, K. R. & Pinheiro, D. Research progress of MXenes and MXenes-based catalysts for photocatalytic water splitting: a systematic review. J. Environ. Chem. Eng. 12, 112748 (2024).10.1016/j.jece.2024.112748 ↗
13. Chen, J. et al. Progress in MXene-based catalysts for oxygen evolution reaction. Electron 2, e17 (2023).10.1002/elt2.17 ↗
14. Gandara, M. et al. Nb-MXene as promising material for electrocatalysis in energy conversion (OER/ORR) and storage. Appl. Mater. Today 40, 102356 (2024).10.1016/j.apmt.2024.102356 ↗
15. Subramanyam, S. et al. Advancing sustainable energy storage with MXenes: a comprehensive analysis of fabrication techniques and applications. J. Energy Storage 101, 114067 (2024).10.1016/j.est.2024.114067 ↗
16. Bansal, S., Chaudhary, P., Sharma, B. B., Saini, S. & Joshi, A. Review of MXenes and their composites for energy storage applications. J. Energy Storage 87, 111420 (2024).10.1016/j.est.2024.111420 ↗
17. Hussain, I. et al. Partially oxidized MXenes for energy storage applications. Prog. Mater. Sci. 147, 101351 (2025).10.1016/j.pmatsci.2024.101351 ↗
18. Soomro, I. A. et al. 2d MXenes as electrode materials for metal-sulfur batteries: a review. Mater. Today Phys. 45, 101453 (2024).10.1016/j.mtphys.2024.101453 ↗
19. Deng, J. et al. Mxenes as catalysts for lightweight hydrogen storage materials: a review. Mater. Today Catal. 7, 100073 (2024).
20. Jayakumar, S., Santhosh, P. C., Ramakrishna, S. & Radhamani, A. 2d (Ti3C2Tx)MXene: a comprehensive review of advancements in synthesis protocols, applications in supercapacitors, sustainability targets and future prospects. J. Energy Storage 97, 112741 (2024).10.1016/j.est.2024.112741 ↗
21. Ho, D. H., Choi, Y. Y., Jo, S. B., Myoung, J.-M. & Cho, J. H. Sensing with MXenes: progress and prospects. Adv. Mater. 33, 2005846 (2021).10.1002/adma.202005846 ↗
22. Pei, Y. et al. Ti3C2TX MXene for sensing applications: recent progress, design principles, and future perspectives. ACS Nano 15, 3996–4017 (2021).10.1021/acsnano.1c00248 ↗
23. Xie, K. et al. Application of two-dimensional MXene materials in sensors. Mater. Des. 228, 111867 (2023).10.1016/j.matdes.2023.111867 ↗
24. Persson, P. & Rosen, J. Current state of the art on tailoring the MXene composition, structure, and surface chemistry. Curr. Opin. Solid State Mater. Sci. 23, 100774 (2019).10.1016/j.cossms.2019.100774 ↗
25. Iqbal, A., Kwon, J., Kim, M.-K. & Koo, C. MXenes for electromagnetic interference shielding: experimental and theoretical perspectives. Mater. Today Adv. 9, 100124 (2021).10.1016/j.mtadv.2020.100124 ↗
26. Han, M. et al. Beyond Ti3C2Tx: MXenes for electromagnetic interference shielding. ACS Nano 14, 5008–5016 (2020).10.1021/acsnano.0c01312 ↗
27. Gu, P. et al. Recent strategies, progress, and prospects of two-dimensional metal carbides (MXenes) materials in wastewater purification: a review. Sci. Total Environ. 912, 169533 (2024).10.1016/j.scitotenv.2023.169533 ↗
28. Sun, Y. et al. MXene-based membranes in water treatment: current status and future prospects. Sep. Purif. Technol. 331, 125640 (2024).10.1016/j.seppur.2023.125640 ↗
29. Meskher, H. et al. Recent advances in applications of MXenes for desalination, water purification and as an antibacterial: a review. Environ. Sci. 12, 1012–1036 (2025).
30. Solangi, N. H. et al. Recent trends in MXene-based material for biomedical applications. Environ. Res. 222, 115337 (2023).10.1016/j.envres.2023.115337 ↗
31. Chen, L., Dai, X., Feng, W. & Chen, Y. Biomedical applications of MXenes: from nanomedicine to biomaterials. Acc. Mater. Res. 3, 785–798 (2022).10.1021/accountsmr.2c00025 ↗
32. Lee, I.-C., Li, Y.-C. E., Thomas, J. L., Lee, M.-H. & Lin, H.-Y. Recent advances using MXenes in biomedical applications. Mater. Horiz. 11, 876–902 (2024).10.1039/D3MH01588B ↗
33. Gürbüz, B. & Ciftci, F. Bio-electric-electronics and tissue engineering applications of MXenes wearable materials: a review. Chem. Eng. J. 489, 151230 (2024).10.1016/j.cej.2024.151230 ↗
34. Ferrara, V. et al. Advanced approaches in skin wound healing—a review on the multifunctional properties of MXenes in therapy and sensing. Nanoscale 16, 18684–18714 (2024).10.1039/D4NR02843K ↗
35. Vénosová, B. & Karlický, F. Mxene’s surface functionalization patterns and their impacts on magnetism. Phys. Chem. Chem. Phys. 26, 18500–18509 (2024).10.1039/D4CP01319K ↗
36. García-Romeral, N., Morales-García, A., Viñes, F., Moreira, I. D. P. R. & Illas, F. Theoretical analysis of magnetic coupling in the Ti2C bare MXene. J. Phys. Chem. C 127, 3706–3714 (2023).10.1021/acs.jpcc.2c07609 ↗
37. Shukla, V. The tunable electric and magnetic properties of 2D MXenes and their potential applications. Mater. Adv. 1, 3104–3121 (2020).10.1039/D0MA00548G ↗
38. Sakhraoui, T. & Karlický, F. Prediction of induced magnetism in 2D Ti2C based MXenes by manipulating the mixed surface functionalization and metal substitution computed by xTB model Hamiltonian of the DFTB method. Phys. Chem. Chem. Phys. 26, 12862–12868 (2024).10.1039/D3CP05665A ↗
39. García-Romeral, N., Morales-García, Á, Viñes, F., de PR Moreira, I. & Illas, F. How does thickness affect magnetic coupling in Ti-based MXenes. Phys. Chem. Chem. Phys. 25, 17116–17127 (2023).10.1039/D3CP01617J ↗
40. Hantanasirisakul, K. et al. Evidence of a magnetic transition in atomically thin Cr2TiC2Tx MXene. Nanoscale Horiz. 5, 1557–1565 (2020).10.1039/D0NH00343C ↗
41. Sarmah, H. S. & Ghosh, S. Surface passivation and tunable magnetic properties of Cr-based MXenes. J. Phys. Chem. C 128, 16133–16142 (2024).10.1021/acs.jpcc.4c04094 ↗
42. Amrillah, T. et al. Potential of MXenes as a novel material for spintronic devices: a review. Phys. Chem. Chem. Phys. 25, 18584–18608 (2023).10.1039/D3CP01261A ↗
43. Limbu, Y. et al. Functionalized Cr2C MXenes: novel magnetic semiconductors. Preprint at arXiv https://doi.org/10.48550/arXiv.2503.15695 (2025).10.48550/arXiv.2503.15695 ↗
44. Wang, K., He, J., Zhang, M., Wang, H. & Zhang, G. Magnon–phonon interaction in antiferromagnetic two-dimensional MXenes. Nanotechnology 31, 435705 (2020).10.1088/1361-6528/aba4cf ↗
45. Mermin, N. D. & Wagner, H. Absence of ferromagnetism or antiferromagnetism in one-or two-dimensional isotropic Heisenberg models. Phys. Rev. Lett. 17, 1133 (1966).10.1103/PhysRevLett.17.1133 ↗
46. Wang, Q. H. et al. The magnetic genome of two-dimensional van der Waals materials. ACS Nano 16, 6960–7079 (2022).10.1021/acsnano.1c09150 ↗
47. Cornelissen, L., Liu, J., Duine, R., Youssef, J. B. & Van Wees, B. Long-distance transport of magnon spin information in a magnetic insulator at room temperature. Nat. Phys. 11, 1022–1026 (2015).10.1038/nphys3465 ↗
48. Cornelissen, L. J., Peters, K. J., Bauer, G. E., Duine, R. A. & van Wees, B. J. Magnon spin transport driven by the magnon chemical potential in a magnetic insulator. Phys. Rev. B 94, 014412 (2016).10.1103/PhysRevB.94.014412 ↗
49. Xing, W. et al. Magnon transport in quasi-two-dimensional van der Waals antiferromagnets. Phys. Rev. X 9, 011026 (2019).
50. Bauer, G. E., Saitoh, E. & Van Wees, B. J. Spin caloritronics. Nat. Mater. 11, 391–399 (2012).10.1038/nmat3301 ↗
51. Boona, S. R., Myers, R. C. & Heremans, J. P. Spin caloritronics. Energy Environ. Sci. 7, 885–910 (2014).10.1039/c3ee43299h ↗
52. Cui, Q., Bai, X. & Delin, A. Anisotropic magnon transport in van der Waals ferromagnetic insulators. Adv. Funct. Mater. 35, 2407469 (2025).10.1002/adfm.202407469 ↗
53. Patiño, C. et al. Theoretical characterization of the magnetic properties of vanadium-doped Ti2C MXenes. Preprint at arXiv https://doi.org/10.48550/arXiv.2512.09657 (2025).10.48550/arXiv.2512.09657 ↗
54. Aguilera, E., Jaeschke-Ubiergo, R., Vidal-Silva, N., Torres, L. E. F. & Nunez, A. Topological magnonics in the two-dimensional van der Waals magnet CrI3. Phys. Rev. B 102, 024409 (2020).10.1103/PhysRevB.102.024409 ↗
55. Prasai, N. et al. Ballistic magnon heat conduction and possible Poiseuille flow in the helimagnetic insulator Cu2OSeO3. Phys. Rev. B 95, 224407 (2017).10.1103/PhysRevB.95.224407 ↗
56. Streib, S., Vidal-Silva, N., Shen, K. & Bauer, G. E. Magnon-phonon interactions in magnetic insulators. Phys. Rev. B 99, 184442 (2019).10.1103/PhysRevB.99.184442 ↗
57. Lv, P., Li, Y.-L. & Wang, J.-F. Monolayer Ti2C MXene: manipulating magnetic properties and electronic structures by an electric field. Phys. Chem. Chem. Phys. 22, 11266–11272 (2020).10.1039/D0CP00507J ↗
58. LBNL Materials Project. Materials data on Ti2AlC (mp-12990) by Materials Project. https://doi.org/10.17188/1189314 (2020).10.17188/1189314 ↗
59. Kresse, G. & Furthmüller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B. 54, 11169–11186 (1996).10.1103/PhysRevB.54.11169 ↗
60. Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865–3868 (1996).10.1103/PhysRevLett.77.3865 ↗
61. Colpa, J. Diagonalization of the quadratic boson hamiltonian. Physica A 93, 327–353 (1978).10.1016/0378-4371(78)90160-7 ↗
62. Flebus, B. et al. Magnon-polaron transport in magnetic insulators. Phys. Rev. B 95, 144420 (2017).10.1103/PhysRevB.95.144420 ↗
63. Esteras, D. L., Rybakov, A., Ruiz, A. M. & Baldoví, J. J. Magnon straintronics in the 2d van der Waals ferromagnet CrSb from first-principles. Nano Lett. 22, 8771–8778 (2022).10.1021/acs.nanolett.2c02863 ↗
64. Rudenko, A. N., Rösner, M. & Katsnelson, M. I. Dielectric tunability of magnetic properties in orthorhombic ferromagnetic monolayer CrSb. npj Comput. Mater. 9, 83 (2023).10.1038/s41524-023-01050-3 ↗
65. Li, R. et al. Anisotropic magnon spin transport in ultrathin spinel ferrite thin films-evidence for anisotropy in exchange stiffness. Nano Lett. 22, 1167–1173 (2022).10.1021/acs.nanolett.1c04332 ↗
66. Chatzichrysafis, D. & Mook, A. Thermal Hall effect of magnons from many-body skew scattering. Phys. Rev. B. 111, 134405 (2025).10.1103/PhysRevB.111.134405 ↗