Effect of defect on the mechanical properties of nanoporous two-dimensional borophene membranes
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Thien-Kim HuynhThe University of Danang - University of Science and Technology, VietnamLe-Hung-Toan DoThe University of Danang - University of Science and Technology, Vietnam
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Borophene, a two-dimensional material with remarkable electrochemical and mechanical potential, has attracted increasing attention for advanced nanoscale applications. This makes it crucial to investigate and determine how defects affect the mechanical characteristics of nanoporous 2D borophene nanosheets. This study discovers the width and quantity of vacancy defects on the borophene surface based on its structure. The results of this study will include parameters such as strain and stress curve diagrams, Young's modulus coefficients, and various maximum strength. In this work, the mechanical behavior of borophene monolayer films containing vacancy defects under uniaxial tensile conditions is studied using molecular dynamics simulation. The effect of vacancy defect widths and quantity to fracture behavior has been divided into two scenarios under uniaxial tension were investigated in both armchair (y) – zigzag (x) orientations.
Tài liệu tham khảo
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[1] K. S. Novoselov et al., “Electric Field Effect in Atomically Thin Carbon Films,” Science, vol. 306, no. 5696, pp. 666–669, 2004.
[2] H. Wang et al., “Porous Two-Dimensional Materials for Photocatalytic and Electrocatalytic Applications,” Matter, vol. 2, no. 6, pp. 1377–1413, 2020.
[3] A. Mazinani et al., “Comparative antibacterial activity of 2D materials coated on porous-titania,” Journal of Materials Chemistry B, vol. 9, no. 32, pp. 6412–6424, 2021.
[4] J. S. Jang et al., “2D Materials Decorated with Ultrathin and Porous Graphene Oxide for High Stability and Selective Surface Activity,” Advanced Materials, vol. 32, no. 36, p. 2002723, 2020.
[5] A. J. Mannix et al., “Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs,” Science, vol. 350, no. 6267, pp. 1513–1516, 2015.
[6] B. Feng et al., “Experimental realization of two-dimensional boron sheets,” Nature Chemistry, vol. 8, no. 6, pp. 563–568, 2016.
[7] V. T. Pham and T. H. Fang, “Anisotropic mechanical strength, negative Poisson's ratio and fracture mechanism of borophene with defects,” Thin Solid Films, vol. 709, p. 138197, 2020.
[8] A. J. Mannix, Z. Zhang, N. P. Guisinger, B. I. Yakobson, and M. C. Hersam, “Borophene as a prototype for synthetic 2D materials development,” Nature Nanotechnology, vol. 13, no. 6, pp. 444–450, 2018.
[9] Y. P. Zhou and J. W. Jiang, “Molecular dynamics simulations for mechanical properties of borophene: parameterization of valence force field model and Stillinger-Weber potential,” Scientific Reports, vol. 7, no. 1, p. 45516, 2017.
[10] L. Yu, Q. Yan, and A. Ruzsinszky, “Negative Poisson’s ratio in 1T-type crystalline two-dimensional transition metal dichalcogenides,” Nature Communications, vol. 8, no. 1, p. 15224, 2017.
[11] V. T. Pham and T. H. Fang, “Understanding porosity and temperature induced variabilities in interface, mechanical characteristics and thermal conductivity of borophene membranes,” Scientific Reports, vol. 11, no. 1, p. 12123, 2021.
[12] H. Sun, Q. Li, and X. G. Wan, “First-principles study of thermal properties of borophene,” Physical Chemistry Chemical Physics, vol. 18, no. 22, pp. 14927–14932, 2016.
[13] Z. Q. Wang, T. Y. Lu, H. Q. Wang, Y. P. Feng, and J. C. Zheng, “Review of borophene and its potential applications,” Frontiers of Physics, vol. 14, no. 3, p. 33403, 2019.
[14] Y. Liu et al., “Stable and metallic borophene nanoribbons from first-principles calculations,” Journal of Materials Chemistry C, vol. 4, no. 26, pp. 6380–6385, 2016.
[15] Z. Zhang, Y. Xie, Q. Peng, and Y. Chen, “Phonon transport in single-layer boron nanoribbons,” Nanotechnology, vol. 27, no. 44, p. 445703, 2016.
[16] V. T. Pham et al., “Impact of defects on the mechanical characteristics of two-dimensional nanoporous boron nitride membranes,” The University of Danang - Journal of Science and Technology, vol. 23, no. 9C, pp. 55–61, 2025.
[17] T. Q. Tran et al., “Assessment of mechanical and electronic properties of XO2 monolayer materials using first-principles method,” The University of Danang - Journal of Science and Technology, vol. 23, no. 5A, pp. 7–12, 2025.
[18] S. Arabha, A. H. Akbarzadeh, and A. Rajabpour, “Engineered porous borophene with tunable anisotropic properties,” Composites Part B: Engineering, vol. 200, pp. 108–260, 2020.
[19] R. C. Xiao, D. F. Shao, W. J. Lu, H. Y. Lv, J. Y. Li, and Y. P. Sun, “Enhanced superconductivity by strain and carrier-doping in borophene: A first principles prediction,” Applied Physics Letters, vol. 109, no. 12, pp. 122–604, 2016.
[20] T. N. Vu, V. T. Pham, D. B. Luu, N. H. Tran, P. T. N. Nguyen, B. K. Nguyen, and Q. B. Tao, “Effect of nanopore on mechanical characteristics of indium selenide membrane,” Journal of the Brazilian Society of Mechanical Sciences and Engineering, vol. 47, p. 83, 2025.
[21] Z. D. Sha et al., “Temperature and strain-rate dependent mechanical properties of single-layer borophene,” Extreme Mechanics Letters, vol. 19, pp. 39–45, 2018.
[22] D. Wang et al., “Von Mises Stress in Chemical-Mechanical Polishing Processes,” Journal of The Electrochemical Society, vol. 144, no. 3, p. 1121, 1997.
[23] N. Liu et al., “Abnormality in fracture strength of polycrystalline silicene,” 2D Materials, vol. 3, no. 3, p. 035008, 2016.
[24] S. Plimpton, “Fast Parallel Algorithms for Short-Range Molecular Dynamics,” Journal of Computational Physics, vol. 117, no. 1, pp. 1–19, 1995.
[25] A. Stukowski, “Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool,” Modelling and Simulation in Materials Science and Engineering, vol. 18, no. 1, p. 015012, 2009.
[26] J. W. Jiang and Y. P. Zhou, “Parameterization of Stillinger-Weber Potential for Two-Dimensional Atomic Crystals,” Materials Science, p. 1704.03147, 2017.

