一维纳米限域物质的结构

常静; 陈基

doi:10.7498/aps.71.20220035

摘要

低维材料的结构探索是我们全面认识元素物态的关键. 近年来, 研究方法的发展使包括一维原子链在内的各种低维结构逐渐被报道. 根据一维限域材料的发展现状, 本文重点对直径1 nm以下单质材料的结构和物理性质进行了综述, 并简要总结了此类研究中常用的实验技术和理论方法. 希望通过材料结构特性的解读和研究方法的讨论, 说明目前理论计算层面存在的困难及需要面临的挑战, 并以此对一维限域材料的研究前景进行展望.

关键词:

Abstract

Exploring the structure of low-dimensional materials is a key step towards a complete understanding of condensed matter. In recent years, owing to the fast developing of research tools, novel structures of many elements have been reported, revealing the possibility of new properties. Refining the investigation of one-dimensional atomic chain structures has thus received a great amount of attention in the field of condensed matter physics, materials science and chemistry. In this paper, we review the recent advances in the study of confined structures under nanometer environments. We mainly discuss the most interesting structures revealed and the experimental and theoretical methods adopted in these researches, and we also briefly discuss the properties related to the new structures. We particularly focus on elemental materials, which show the richness of one-dimensional structures in vacuum and in nanoconfinement. By understanding the binding and stability of various structures and their properties, we expect that one-dimensional materials should attract a broad range of interest in new materials discovery and new applications. Moreover, we reveal the challenges in accurate theoretical simulations of one-dimensional materials in nanoconfinement, and we provide an outlook of how to overcome such challenges in the future.

Keywords:

作者及机构信息

常静,
陈基

北京大学物理学院, 北京　100871

通信作者: 陈基, ji.chen@pku.edu.cn

基金项目: 国家自然科学基金(批准号: 11974024)资助的课题.

Authors and contacts

Chang Jing,
Chen Ji

School of Physics, Peking University, Beijing 100871, China

Corresponding author: Chen Ji, ji.chen@pku.edu.cn

Funds: Project supported by the National Natural Science Foundation of China (Grant No. 11974024).

文章全文

参考文献

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施引文献

图 1 碳元素一维结构示意图　(a) C元素一维卡宾直链; (b) C元素一维螺旋链. 左侧为径向视角, 右侧为接近轴向的视角

Fig. 1. Schematic diagram of one-dimensional structures of carbon: (a) Carbyne chain; (b) carbon helical chain. Left and right panels are radial and axial view.

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图 2 磷元素一维同素异形体链结构示意图. 其中第一行括号中D代表纳米管的直径, 不同一维限域磷结构稳定存在于相应的区间^[28]

Fig. 2. Structures of one-dimensional phosphorus. The D values in the bracket of the first row indicate the widths of carbon nanotube where the corresponding confined one-dimensional phosphorus are stable^[28].

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图 3 碳纳米管中一维P((a)—(c))和As((d)—(f))链结构高分辨率透射电子显微镜图像及其相应的结构示意图^[32]. 每幅图显示了实验图像(左)、模拟图像(中)以及相应原子模型(右). 结构包括P₄/As₄结构((a)和(d))、锯齿梯形结构((b)和(e)), 以及锯齿单链结构((c)和(f))

Fig. 3. High resolution transmission electron microscopy (HRTEM) imaging and structure models for one-dimensional phosphorus ((a)–(c)) and arsenic ((d)–(f)) in carbon nanotube^[32]. In each panel, from left to right is experimental image, simulated image and structure model, respectively. The structures include the tetrahedral molecular structure ((a), (d)), the zigzag ladder structure ((b), (e)) and the single zigzag chain structure ((c), (f)).

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图 4 O元素(a)和S元素(b)的典型一维同素异形体链结构示意图^[34]　(a) 从上到下分别是长方体笼型O₈链、交叉梯形结构和锯齿梯形结构; (b) 从上往下依次是单链结构、双链结构和锯齿单链结构

Fig. 4. One-dimensional allotropes of oxygen (a) and sulfur (b)^[34]: (a) It shows a O₈ chain, an alternating ladder structure and a zigzag ladder structure from top to bottom; (b) It shows a single chain, a double chain and a zigzag chain structure from top to bottom.

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图 5 (a) 单臂碳纳米管中一维直线型硫链的高分辨透射电子显微镜图像^[39]; (b) 单臂碳纳米管中锯齿型硫链结构的高分辨透射电子显微镜图像^[39]; (c) 双臂碳纳米管中的一维线性链的高分辨透射电子显微镜图像^[39]; (d) 图(a)—(c)中结构对应的X射线衍射谱^[39]

Fig. 5. (a) HRTEM images of one-dimensional linear sulfur chain in single-wall carbon nanotube (CNT)^[39]; (b) HRTEM images of the zigzag sulfur chain in single-wall CNT^[39]; (c) HRTEM images of linear sulfur chain in double-wall CNT^[39]; (d) X-ray diffraction curves of structures in panels (a)–(c)^[39].

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图 6 用单壁碳纳米管封装的碘原子链的高分辨电子显微镜图像^[44]　(a) 直径(1.05 ± 0.05) nm单壁碳纳米管中的单螺旋碘链结构; (b) 直径(1.30 ± 0.05) nm单壁碳纳米管中的双螺旋碘链结构; (c) 直径(1.40 ± 0.05) nm单壁碳纳米管中的三螺旋碘链结构图

Fig. 6. HRTEM images of one-dimensional iodine chain in single-wall CNT^[44]: (a) Single helical iodine structure in CNT with diameter of (1.05 ± 0.05) nm; (b) double helical iodine structure in CNT with diameter of (1.35 ± 0.05) nm; (c) triple helical iodine structure in CNT with diameter of (1.45 ± 0.05) nm.

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[1]	Zhu C Q, Gao Y R, Zhu W D, Liu Y, Francisco J S, Zeng X C 2020 J. Phys. Chem. Lett. 11 7449 Google Scholar
[2]	Georgakilas V, Perman J A, Tucek J, Zboril R 2015 Chem. Rev. 115 4744 Google Scholar
[3]	De Volder M F L, Tawfick S H, Baughman R H, Hart A 2013 Science 339 535 Google Scholar
[4]	Allen M J, Tung V C, Kaner R B 2010 Chem. Rev. 110 132 Google Scholar
[5]	Charlier J C, Blase X, Roche S 2007 Rev. Mod. Phys. 79 677 Google Scholar
[6]	Pitzer K S, Clementi E 1959 J. Am. Chem. Soc. 81 4477 Google Scholar
[7]	Gibtner T, Hampel F, Gisselbrecht J P, Hirsch A 2002 Chem. Eur. J. 8 408 Google Scholar
[8]	Chalifoux W A, Tykwinski R R 2010 Nat. Chem. 2 967 Google Scholar
[9]	Shi L, Rohringer P, Suenaga K, Niimi Y, Kotakoski J, Meyer J C, Peterlik H, Wanko M, Cahangirov S, Rubio A, Lapin Z J, Novotny L, Ayala1 P, Pichler T 2016 Nat. Mater. 15 634 Google Scholar
[10]	Yao Z, Liu C J, Li Y, Jing X D, Meng F S, Zheng S P, Zhao X, Li J H, Qiu Z Y, Yuan Y, Wang W X, Bi L, Liu H, Zhang Y P, Liu B B 2016 Chin. Phys. B 25 096105 Google Scholar
[11]	Fan L L, Yang D R, Li D S 2021 Materials 14 3964 Google Scholar
[12]	Luo K, Zhao Z S, Ma M D, Zhang S S, Yuan X H, Gao G Y, Zhou X F, He J L, Yu D L, Liu Z G, Xu B, Tian Y J 2016 Chem. Mater. 28 6441 Google Scholar
[13]	Sung H J, Han W H, Lee I H, Chang K J 2018 Phys. Rev. Lett. 120 157001 Google Scholar
[14]	Huang W Q, Ouyang T, Tang C, He C Y, Li J, Zhang C X, Zhong J X 2020 J. Appl. Phys. 128 215108 Google Scholar
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[18]	Yao Y, McDowell M T, Ryu I, Wu H, Liu N, Hu L B, Nix W D, Cui Y 2011 Nano Lett. 11 2949 Google Scholar
[19]	Olijnyk H, Sikka S K, Holzapfel W B 1984 Phys. Lett. A 103 137 Google Scholar
[20]	Khokhlov A F, Mashin A I, Khokhlov D A 1998 JETP Lett. 67 675 Google Scholar
[21]	Oganov A R, Chen J H, Gatti C, Ma Y Z, Ma Y M, Glass C W, Liu Z X, Yu T, Kurakevych O O, Solozhenko V L 2009 Nature 457 863 Google Scholar
[22]	Liu M J, Artyukhov V I, Yakobson B I 2017 J. Am. Chem. Soc. 139 2111 Google Scholar
[23]	Eremets M I, Gavriliuk A G, Trojan I A, Dzivenko D A, Boehler R 2004 Nat. Mater. 3 558 Google Scholar
[24]	Abou-Rachid H, Hu A G, Timoshevskii V, Song Y F, Lussier L S 2008 Phys. Rev. Lett. 100 196401 Google Scholar
[25]	Ji W, Timoshevskii V, Guo H, Abou-Rachid H, Lussier L S 2009 Appl. Phys. Lett. 95 021904 Google Scholar
[26]	Li Y L, Bai H C, Lin F X, Huang Y H 2018 Physica E 103 444 Google Scholar
[27]	Kramberger C, Thurakitseree T, Koh H, Izumi Y, Kinoshita T, Muro T, Einarsson E, Maruyama S 2013 Carbon 55 196 Google Scholar
[28]	Hart M, White E R, Chen J, McGilvery C M, Pickard C J, Michaelides A, Sella A, Shaffer M S P, Salzmann C G 2017 Angew. Chem. Int. Ed. 56 8144 Google Scholar
[29]	Zhang J Y, Fu C C, Song S X, Du H C, Zhao D, Huang H Y, Zhang L H, Guan J, Zhang Y F, Zhao X L, Ma C S, Jia C L, Tománek D 2020 Nano Lett. 20 1280 Google Scholar
[30]	Deringer V L, Pickard C J, Proserpio D M. 2020 Angew. Chem. Int. Ed. 59 15880 Google Scholar
[31]	Hart M, Chen J, Michaelides A, Sella A, Shaffer M S P, Salzmann C G 2018 Angew. Chem. Int. Ed. 57 11649 Google Scholar
[32]	Hart M, Chen J, Michaelides A, Sella A, Shaffer M S P, Salzmann C G 2019 Inorg. Chem. 58 15216 Google Scholar
[33]	Kitaura R, Kitagawa S, Kubota Y, Kobayashi Tatsuo C, Kindo K, Mita Y, Matsuo A, Kobayashi M, Chang H C, Ozawa T C, Suzuki M, Sakata M, Masaki T 2002 Science 298 2358 Google Scholar
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[39]	Fujimori T, Morelos A, Zhu Z, Muramatsu H, Futamura1 R, Urita K, Terrones M, Hayashi T, Endo M, Hong S Y, ChoI Y C, Tomanek D, Kaneko Katsumi 2013 Nat. Commun. 4 2162 Google Scholar
[40]	Chancolon J, Archaimbault F, Bonnamy S, Traverse A, Olivi L, Vlaic G 2006 J. Non-Cryst. Solids 352 99 Google Scholar
[41]	Fujimori T, dos Santos R B, Hayashi T, Endo M, Kaneko K, Tománek D 2013 ACS Nano 7 5607 Google Scholar
[42]	Grigorian L, Williams K A, Fang S, Sumanasekera G U, Loper A L, Dickey E C, Pennycook S J, Eklund P C 1998 Phys. Rev. Lett. 80 5560 Google Scholar
[43]	Fan X, Dickey E C, Eklund P C, Williams K A, Grigorian L, Buczko R, Pantelides S T, Pennycook S J 2000 Phys. Rev. Lett. 84 4621 Google Scholar
[44]	Guan L H, Suenaga K, Shi Z J, Gu Z N, Iijima S 2007 Nano Lett. 7 1532 Google Scholar
[45]	Komsa H P, Senga R, Suenaga K, Krasheninnikov A V 2017 Nano Lett. 17 3694 Google Scholar

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一维纳米限域物质的结构