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首页> 外文期刊>Advanced Functional Materials >Tunable Assembly of sp~3 Cross-Linked 3D Graphene Monoliths: A First-Principles Prediction
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Tunable Assembly of sp~3 Cross-Linked 3D Graphene Monoliths: A First-Principles Prediction

机译：sp〜3交联的3D石墨烯整料的可调组件：第一性原理预测。

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摘要

One of the biggest challenges in graphene applications is how one can fabricate 3D architectures comprising graphene sheets in which the resulting architectures have inherited graphene's excellent intrinsic properties but have overcome its shortcomings. Two series of 3D graphene monoliths (GMs) using zigzag or armchair graphene nanoribbons as building blocks and sp~3 carbon chains as junction nodes are constructued, and calculations based on first principles are performed in order to predict their mechanical and electronic properties. The perfect match between sp~2 nanoribbons and sp~3 linkers results in favorable energy and mechanical/dynamic stability. Owing to their tailored motifs, wine-rack-like pores, and rigid sp~3 linkers, these CMs possess high surface areas, appreciable mechanical strength, and tunable band gaps. Negative linear compressibilities in a wide range are found for the zigzag CMs. By solving the problems of zero gap and dimensionality of graphene sheets simultaneously, these CMs offer a viable strategy towards many applications, e.g., microelectronic devices, energy storage, molecular sieves, sensitive pressure detectors, and telecommunication line systems.
机译：石墨烯应用中的最大挑战之一是如何制造包含石墨烯片的3D体系结构，其中所得的体系结构继承了石墨烯的优异内在特性，但克服了其缺点。以之字形或扶手椅状石墨烯纳米带为结构单元，以sp〜3碳链为结点，构建了两个系列的3D石墨烯整料（GM），并基于第一性原理进行了计算以预测其机械和电子性能。 sp〜2纳米带和sp〜3接头之间的完美匹配导致了良好的能量和机械/动态稳定性。由于其量身定制的图案，酒架样的孔和坚硬的sp〜3连接子，这些CM具有高表面积，可观的机械强度和可调节的带隙。之字形CM的线性压缩率范围很广。通过同时解决石墨烯片的零间隙和尺寸问题，这些CM为许多应用提供了可行的策略，例如微电子设备，储能，分子筛，灵敏压力检测器和电信线路系统。

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  • 来源
    《Advanced Functional Materials》 |2013年第47期|5846-5853|共8页
  • 作者

    Xue Jiang; Jijun Zhao; Yan-Ling Li; Rajeev Ahuja;

  • 作者单位

    Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology) Ministry of Education Dalian 116024, China,Department of Materials and Engineering Royal Institute of Technology Stockholm 10044, Sweden;

    Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology) Ministry of Education Dalian 116024, China;

    School of Physics and Electronic Engineering Jiangsu Normal University Xuzhou 221116, China,Department of Physics and Astronomy Box 516, Uppsala University 751 23, Uppsala, Sweden;

    Department of Materials and Engineering Royal Institute of Technology Stockholm 10044, Sweden,Department of Physics and Astronomy Box 516, Uppsala University 751 23, Uppsala, Sweden;

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