Yuxiao Zhou, Yali Zhang*, Yuheng Pang, Hua Guo, Yongqiang Guo, Mukun Li, Xuetao Shi and Junwei Gu*. Thermally Conductive Ti3C2Tx Fibers with Superior Electrical Conductivity. Nano-Micro Letters, 2025, 17: 235. 2023IF=31.6.（1區材料科學Top期刊）
https://doi.org/10.1007/s40820-025-01752-x
Abstract
High-performance Ti3C2Tx fibers have garnered significant potential for smart fibers enabled fabrics. Nonetheless, a major challenge hindering their widespread use is the lack of strong interlayer interactions between Ti3C2Tx nanosheets within fibers, which restricts their properties. Herein, a versatile strategy is proposed to construct wet-spun Ti3C2Tx fibers, in which trace amounts of borate form strong interlayer crosslinking between Ti3C2Tx nanosheets to significantly enhance interactions as supported by density functional theory calculations, thereby reducing interlayer spacing, diminishing microscopic voids and promoting orientation of the nanosheets. The resultant Ti3C2Tx fibers exhibit exceptional electrical conductivity of 7781 S/cm and mechanical properties, including tensile strength of 188.72 MPa and Young''s modulus of 52.42 GPa. Notably, employing equilibrium molecular dynamics simulations, finite element analysis, and cross-wire geometry method, it is revealed that such crosslinking also effectively lowers interfacial thermal resistance and ultimately elevates thermal conductivity of Ti3C2Tx fibers to 13 W/(m·K), marking the first systematic study on thermal conductivity of Ti3C2Tx fibers. The simple and efficient interlayer crosslinking enhancement strategy not only enables the construction of thermal conductivity Ti3C2Tx fibers with high electrical conductivity for smart textiles but also offers a scalable approach for assembling other nanomaterials into multifunctional fibers.
高性能Ti3C2Tx纖維在智能纖維織物領域具有重要應用潛力，但其片層間相互作用力較弱，限制了其性能的提升。本工作提出了一種通用策略設計制備高性能Ti3C2Tx纖維，即在濕法紡絲過程中利用微量硼酸鹽與Ti3C2Tx納米片之間形成的強層間交聯連續構筑Ti3C2Tx纖維。結合密度泛函理論計算證明了微量硼酸鹽與Ti3C2Tx上羥基形成的強層間交聯顯著增強Ti3C2Tx纖維內部片層間相互作用的同時，還大幅減少片層間孔隙、促進片層取向，賦予Ti3C2Tx纖維優異的導電性能（7781 S/cm）和力學性能（抗拉強度可達188.72 MPa，楊氏模量可達52.42 GPa）。借助平衡分子動力學模擬、有限元分析及交叉線測試方法，首次揭示了Ti3C2Tx纖維的卓越導熱性能，其導熱系數高達13 W/(m?K)。所提出的簡單高效的層間交聯增強策略不僅為Ti3C2Tx在構筑高導電導熱纖維并應用于智能紡織品領域開辟新途徑，而且為其他納米材料向功能纖維的可擴展組裝提供了新方法。
論文亮點
1. 通過調控Ti3C2Tx液晶分散體濃度和濕法紡絲過程中的硼酸鹽與Ti3C2Tx表面羥基形成的強層間交聯，實現Ti3C2Tx纖維的高效連續組裝。
2. 硼酸鹽與Ti3C2Tx納米片形成的強層間交聯可減小片層間距、提升片層取向度與致密性，從而協同優化Ti3C2Tx纖維的力學和電學性能。當Na2B4O7的用量為0.75 wt%時，纖維綜合性能最優（抗拉強度可達188.72 MPa，楊氏模量可達52.42 GPa，電導率可達7781 S/cm）。
3. 硼酸鹽能夠促進界面結構規則，降低界面熱阻，賦予Ti3C2Tx纖維高導熱性能。當Na2B4O7的用量為0.75 wt%時，Ti3C2Tx纖維具有最優的導熱性能，λ可達13 W/(m?K)）。
第一作者：周宇霄
郵件地址：[email protected]
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