مقالۀ پژوهشی: مطالعه ویژگی‌های الکترونیکی و مغناطیسی مکسین Nb2C به روش محاسبات ابتدا به ساکن

  [1] Chia, X. and Pumera, M., "Characteristics and performance of two-dimensional materials for electrocatalysis", Nature Catalysis 1(12), 909-921, 2018. https://doi.org/10.1038/s41929-018-0181-7.

  [2] Luo, B., Liu, G. and Wang, L., "Recent advances in 2D materials for photocatalysis", Nanoscale 8(13), 6904-6920, 2016.

https://doi.org/10.1039/C6NR00546B.

  [3] Choi, W., Choudhary, N., Han, G.H., Park, J., Akinwande, D. and Lee, Y.H., "Recent development of two-dimensional transition metal dichalcogenides and their applications", Materials Today 20(3), 116-130, 2017. https://doi.org/10.1016/j.mattod.2016.10.002.
  [4] Merlo, A., Mokkapati, V.R.S.S., Pandit, S. and Mijakovic, I., "Boron nitride nanomaterials: biocompatibility and bio-applications", Biomaterials science 6(9), 2298-2311, 2018.https://doi.org/10.1039/C8BM00516H.
  [5] Mohajerani, A., Faraei, Z. and Jafari, S.A., "NMR diagnosis of pseudo-scalar superconductivity in 3D Dirac materials", Journal of Physics: Condensed Matter 30(50), 50LT01, 2018. https://doi.org/10.1088/1361-648X
  [6] Ao, K.L., Shao, Y., Chan, I.N., Shi, X., Kawazoe, Y., Yang, M., Ng, K.W. and Pan, H., "Design of novel pentagonal 2D transitional-metal sulphide monolayers for hydrogen evolution reaction", International Journal of Hydrogen Energy 45(32), 16201-16209, 2020. https://doi.org/10.1016/j. ijhydene.2020.04092

  [7] Colson, J.W. and Dichtel, W.R., "Rationally synthesized two-dimensional polymers", Nature chemistry 5(6), 453-465, 2013. https://doi.org/10.1038/nchem.1628

  [8] Ma, R. and Sasaki, T., "Nanosheets of oxides and hydroxides: ultimate 2D charge‐bearing functional crystallites", Advanced materials 22(45), 5082-5104, 2010. https://doi.org/10.1002/adma.201001722

  [9] Molle, A., Goldberger, J., Houssa, M., Xu, Y., Zhang, S.C. and Akinwande, D., "Buckled two-dimensional Xene sheets", Nature materials 16(2), 163-169, 2017. https://doi.org/10.1038/nmat4802

  [10] Grazianetti, C., Martella, C. and Molle, A., "The Xenes generations: a taxonomy of epitaxial single‐element 2D materials", physica status solidi (RRL)–Rapid Research Letters 14(2), 1900439, 2020. https://doi.org/10.1002/pssr.201900439
  [11] Naguib, M., Kurtoglu, M., Presser, V., Lu, J., Niu, J., Heon, M., Hultman, L., Gogotsi, Y. and Barsoum, M.W., "Two-dimensional nanocrystals produced by exfoliation of Ti3AlC2", In MXenes, pp. 15-29. Jenny Stanford Publishing, 2011. https://doi.org/10.1002/adma.201102306.

  [12] Gogotsi, Y. and Anasori, B., "The rise of MXenes", ACS nano 13(8), 8491-8494, 2019. https://doi.org/10.1021/

  [13] Anasori, B., Xie, Y., Beidaghi, M., Lu, J., Hosler, B.C., Hultman, L., Kent, P.R., Gogotsi, Y. and Barsoum, M.W., "Two-dimensional, ordered, double transition metals carbides (MXenes)", ACS nano 9(10), 9507-9516, 2015. https://doi.org/10.1021/acsnano.5b03591

  [14] Anasori, B., Lukatskaya, M.R. and Gogotsi, Y., "2D metal carbides and nitrides (MXenes) for energy storage", Nature Reviews Materials 2(2), 1-17, 2017. 10.1038/natrevmats.2016.98

  [15] Khazaei, M., Mishra, A., Venkataramanan, N.S., Singh, A.K. and Yunoki, S., "Recent advances in MXenes: From fundamentals to applications", Current Opinion in Solid State and Materials Science 23(3), 164-178, 2019. https://doi.org/10.1016/j.cossms.2019.01.002

  [16] Khazaei, M., Ranjbar, A., Esfarjani, K., Bogdanovski, D., Dronskowski, R. and Yunoki, S., "Insights into exfoliation possibility of MAX phases to MXenes", Physical Chemistry Chemical Physics 20(13), 8579-8592, 2018. https://doi.org/10.1039/C7CP08645H

  [17] Wu, X., Huang, B., Wang, Q. and Wang, Y., "High energy density of two-dimensional MXene/NiCo-LDHs interstratification assembly electrode: understanding the role of interlayer ions and hydration", Chemical Engineering Journal 380, 122456, 2020. https://doi.org/10.1016/j.cej.2019.122456  

  [18] Zhang, S. and Han, W.Q., "Recent advances in MXenes and their composites in lithium/sodium batteries from the viewpoints of components and interlayer engineering", Physical Chemistry Chemical Physics 22(29), 16482-16526, 2020. https://doi.org/10.1039/D0CP02275F

  [19] Faruk, M.O., Ahmed, A., Adak, B., Marzana, M., Hossain, M.M. and Mukhopadhyay, S., "High performance 2D MXene based conducting polymer hybrids: synthesis to emerging applications", Journal of Materials Chemistry C 9(32), 10193-10215, 2021. https://doi.org/10.1039/D1TC02240G.

  [20] Faruk, Md Omar, Abbas Ahmed, Bapan Adak, Maliha Marzana, Md Milon Hossain, and Samrat Mukhopadhyay. "High performance 2D MXene based conducting polymer hybrids: synthesis to emerging applications", Journal of Materials Chemistry C 9, no. 32 (2021): 10193-10215. https://doi.org/10.101126/sciadv.aau092

  [21] Quain, E., Mathis, T.S., Kurra, N., Maleski, K., Van Aken, K.L., Alhabeb, M., Alshareef, H.N. and Gogotsi, Y., "Direct writing of additive‐free MXene‐in‐Water ink for electronics and energy storage", Advanced Materials Technologies 4(1), 1800256, 2019. https://doi.org/10.101126/sciadv.aau092

  [22] Wu, Y., Ding, L., Lu, Z., Deng, J. and Wei, Y., "Two-dimensional MXene membrane for ethanol dehydration", Journal of Membrane Science 590, 117300, 2019. https://doi.org/10.1016/j.memsci.2019.117300

  [23] Hu, M., Li, Z., Li, G., Hu, T., Zhang, C. and Wang, X., "All‐solid‐state flexible fiber‐based MXene supercapacitors", Advanced Materials Technologies 2(10), 1700143, 2017. https://doi.org/10.1002/admt.201700143

  [24] Zhao, D., Zhao, R., Dong, S., Miao, X., Zhang, Z., Wang, C. and Yin, L., "Alkali-induced 3D crinkled porous Ti 3 C 2 MXene architectures coupled with NiCoP bimetallic phosphide nanoparticles as anodes for high-performance sodium-ion batteries", Energy & Environmental Science 12(8), 2422-2432, 2019. https://doi.org/10.1039/C9EE00308H

  [25] Xue, Q., Zhang, H., Zhu, M., Pei, Z., Li, H., Wang, Z., Huang, Y., Deng, Q., Zhou, J., Du, S. and Huang, Q., "Photoluminescent Ti3 C2 MXene Quantum Dots for Multicolor Cellular Imaging", Advanced Materials (Deerfield Beach, Fla.) 29(15), 2017. https://doi.org/10.1002/adma.201604847

  [26] Soleymaniha, M., Shahbazi, M.A., Rafieerad, A.R., Maleki, A. and Amiri, A., "Promoting role of MXene nanosheets in biomedical sciences: therapeutic and biosensing innovations", Advanced healthcare materials 8(1), 1801137, 2019. https://doi.org/10.1002/adhm.201801137

  [27] Chen, L., Dai, X., Feng, W. and Chen, Y., "Biomedical applications of MXenes: from nanomedicine to biomaterials", Accounts of Materials Research 3(8), 785-798, 2022. https://doi.org/10.1021/accountsmr.2c00025
  [28] Kim, H., Wang, Z. and Alshareef, H.N., "MXetronics: Electronic and photonic applications of MXenes", Nano Energy 60, 179-197, 2019. https://doi.org/10.1016/j.nanoen.2019.03.020

  [29] Sun, Y. and Li, Y., "Potential environmental applications of MXenes: A critical review", Chemosphere 271, 129578, 2021.

  [30] Jiang, Q., Wu, C., Wang, Z., Wang, A.C., He, J.H., Wang, Z.L. and Alshareef, H.N., "MXene electrochemical microsupercapacitor integrated with triboelectric nanogenerator as a wearable self-charging power unit", Nano Energy 45, 266-272, 2018.  https://doi.org/10.1016/j.nanoen.2018.01.004

  [31] Yuan, Y., Xu, R., Xu, H.T., Hong, F., Xu, F. and Wang, L.J., "Nature of the band gap of halide perovskites ABX3 (A= CH3NH3, Cs; B= Sn, Pb; X= Cl, Br, I): First-principles calculations", Chinese Physics B 24(11), 116302, 2015. https://doi.org/10.1088/1674-1056/24/11/116302

  [32] Lang, L., Yang, J.H., Liu, H.R., Xiang, H.J. and Gong, X.G., "First-principles study on the electronic and optical properties of cubic ABX3 halide perovskites", Physics Letters A 378(3), 290-293, 2014.
https://doi.org/10.48550/arXiv.1309.0070

  [33] Perdew, John P., Kieron Burke, and Matthias Ernzerhof. "Generalized gradient approximation made simple." Physical review letters 77(18), 3865, 1996. https://doi.org/10.1103/PhysRevLett.77.3865

  [34] Torrent, M., Jollet, F., Bottin, F., Zérah, G. and Gonze, X., "Implementation of the projector augmented-wave method in the ABINIT code: Application to the study of iron under pressure." Computational Materials Science 42(2), 337-351, 2008. https://doi.org/10.1016/j.commatsci.2007.07.020

  [35] Pulay, P., "Convergence acceleration of iterative sequences. The case of SCF iteration", Chemical Physics Letters 73(2), 393-398, 1980. https://doi.org/10.1016/0009-2614(80)80396-4

  [36] Ponnalagar, D., Hang, D.R., Islam, S.E., Liang, C.T. and Chou, M.M., "Recent progress in two-dimensional Nb2C MXene for applications in energy storage and conversion." Materials & Design 231, 112046, 2023. https://doi.org/10.1016/j.matdes.2023.112046

  [37] Xu, G., Wang, J., Zhang, X. and Yang, Z., "First principles study on geometric and electronic properties of two-dimensional Nb2CT x MXenes", Chinese Physics B 31(3), 037304, 2022. https://doi.org/10.1088/1674-1056/ac322e