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2021 | OriginalPaper | Chapter

1. A Historical Review of Theoretical Boron Allotropes in Various Dimensions

Authors: Nevill Gonzalez Szwacki, Iwao Matsuda

Publisher: Springer International Publishing

Published in: 2D Boron: Boraphene, Borophene, Boronene

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Abstract

For many years it was believed that boron can only form 3D allotropes due to its intrinsic electron deficiency. The last 20 years, however, have seen a true revolution in the knowledge and understanding of boron chemistry with synthesis of 2D forms of boron recently being made possible. The key works that contributed to this discovery were influenced by investigations in boron allotrope in various dimensions, including 3D (bulk), 0D (cluster), 1D (nanotube), and 2D (sheet). This chapter is a brief historical overview.

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T. Aizawa, S. Suehara, S. Hishita, S. Otani, Surface phonon dispersion of ZrB ₂ (0001) \(\sqrt {3} \times \sqrt {3}\)-B. J. Phys. Condens. Matter. 20(26), 265006 (2008) https://doi.org/10.1088/0953-8984/20/26/265006

I. Boustani, A. Quandt, Nanotubules of bare boron clusters: ab initio and density functional study. Europhys. Lett. 39(5), 527–532 (1997). https://doi.org/10.1209/epl/i1997-00388-9 CrossRef

I. Boustani, Structure and stability of small boron clusters. A density functional theoretical study. Chem. Phys. Lett. 240(1), 135–140 (1995). http://www.sciencedirect.com/science/article/pii/000926149500510B

I. Boustani, New convex and spherical structures of bare boron clusters. J. Solid State Chem. 133(1), 182–189 (1997a). https://doi.org/10.1006/jssc.1997.7424 CrossRef

I. Boustani, Systematic ab initio investigation of bare boron clusters:mDetermination of the geometry and electronic structures of B _n( n = 2 − 14). Phys. Rev. B 55(24), 16426–16438 (1997b). https://doi.org/10.1103/physrevb.55.16426 CrossRef

I. Boustani, A. Quandt, E. Hernández, A. Rubio, New boron based nanostructured materials. J. Chem. Phys. 110(6), 3176–3185 (1999). https://doi.org/10.1063/1.477976 CrossRef

D. Ciuparu, R.F. Klie, Y. Zhu, L. Pfefferle, Synthesis of pure boron single-wall nanotubes. J. Phys. Chem. B 108(13), 3967–3969 (2004). https://doi.org/10.1021/jp049301b CrossRef

M.H. Evans, J.D. Joannopoulos, S.T. Pantelides, Electronic and mechanical properties of planar and tubular boron structures. Phys. Rev. B 72(4), 045434 (2005). https://doi.org/10.1103/physrevb.72.045434

B. Feng, J. Zhang, Q. Zhong, W. Li, S. Li, H. Li, P. Cheng, S. Meng, L. Chen, K. Wu, Experimental realization of two-dimensional boron sheets. Nat. Chem. 8(6), 563–568 (2016). https://doi.org/10.1038/nchem.2491 CrossRef

10.

A.K. Geim, I.V. Grigorieva, Van der waals heterostructures. Nature 499(7459), 419–425 (2013). https://doi.org/10.1038/nature12385 CrossRef

11.

A. Gindulyte, W.N. Lipscomb, L. Massa, Proposed boron nanotubes†. Inorg. Chem. 37(25), 6544–6545 (1998). https://doi.org/10.1021/ic980559o CrossRef

12.

N. Gonzalez Szwacki, Boron fullerenes: a first-principles study. Nanoscale Res. Lett. 3(2), 49–54 (2007). https://doi.org/10.1007/s11671-007-9113-1 CrossRef

13.

N. Gonzalez Szwacki, The structure and hardness of the highest boride of tungsten, a borophene-based compound. Sci. Rep. 7(1) (2017). https://doi.org/10.1038/s41598-017-04394-1

14.

N. Gonzalez Szwacki, A. Sadrzadeh, B.I. Yakobson, B ₈₀ fullerene: an ab initio prediction of geometry, stability, and electronic structure. Phys. Rev. Lett. 98(16), 166804 (2007). https://doi.org/10.1103/physrevlett.98.166804

15.

L. Hanley, S.L. Anderson, Production and collision-induced dissociation of small boron cluster ions. J. Phys. Chem. 91(20), 5161–5163 (1987). https://doi.org/10.1021/j100304a007 CrossRef

16.

U. Häussermann, S.I. Simak, R. Ahuja, B. Johansson, Metal-nonmetal transition in the boron group elements. Phys. Rev. Lett. 90(6), 065701 (2003). https://doi.org/10.1103/physrevlett.90.065701

17.

T. Jian, X. Chen, S.-D. Li, A.I. Boldyrev, J. Li, L.-S. Wang, Probing the structures and bonding of size-selected boron and doped-boron clusters. Chem. Soc. Rev. 48, 3550–3591 (2019). http://dx.doi.org/10.1039/C9CS00233B CrossRef

18.

H. Kato, K. Yamashita, K. Morokuma, Ab initio MO study of neutral and cationic boron clusters. Chem. Phys. Lett. 190(3), 361–366 (1992). http://www.sciencedirect.com/science/article/pii/000926149285352B. https://doi.org/10.1016/0009-2614(92)85352-B

19.

R. Kawai, J.H. Weare, Instability of the B ₁₂ icosahedral cluster: rearrangement to a lower energy structure. J. Chem. Phys. 95(2), 1151–1159 (1991). https://doi.org/10.1063/1.461145 CrossRef

20.

B. Kiran, S. Bulusu, H.-J. Zhai, S. Yoo, X.C. Zeng, L.-S. Wang, Planar-to-tubular structural transition in boron clusters: B ₂₀ as the embryo of single-walled boron nanotubes. Proc. Natl. Acad. Sci. 102(4), 961–964 (2005). https://www.pnas.org/content/102/4/961. https://doi.org/10.1073/pnas.0408132102

21.

J. Kunstmann, A. Quandt, Constricted boron nanotubes. Chem. Phys. Lett. 402(1–3), 21–26 (2005). https://doi.org/10.1016/j.cplett.2004.11.130 CrossRef

22.

S.J. La Placa, P.A. Roland, J.J. Wynne, Boron clusters ( B _n, n = 2 − 52) produced by laser ablation of hexagonal boron nitride. Chem. Phys. Lett. 190(3), 163–168 (1992). http://www.sciencedirect.com/science/article/pii/0009261492853196. https://doi.org/10.1016/0009-2614(92)85319-6

23.

K.C. Lau, R. Pandey, Stability and electronic properties of atomistically-engineered 2d boron sheets. J. Phys. Chem. C 111(7), 2906–2912 (2007). https://doi.org/10.1021/jp066719w CrossRef

24.

K.C. Lau, R. Pati, R. Pandey, A.C. Pineda, First-principles study of the stability and electronic properties of sheets and nanotubes of elemental boron. Chem. Phys. Lett. 418(4–6), 549–554 (2006). https://doi.org/10.1016/j.cplett.2005.10.104 CrossRef

25.

D. Li, Q. Tang, J. He, B. Li, G. Ding, C. Feng, H. Zhou, G. Zhang, From two- to three-dimensional van der Waals layered structures of boron crystals: an ab initio study. ACS Omega 4(5), 8015–8021 (2019). https://doi.org/10.1021/acsomega.9b00534 CrossRef

26.

W. Li, L. Kong, C. Chen, J. Gou, S. Sheng, W. Zhang, H. Li, L. Chen, P. Cheng, K. Wu, Experimental realization of honeycomb borophene. Sci. Bull. 63(5), 282–286 (2018). https://doi.org/10.1016/j.scib.2018.02.006 CrossRef

27.

Y. Liu, E.S. Penev, B.I. Yakobson, Probing the synthesis of two-dimensional boron by first-principles computations. Angewandte Chemie 125(11), 3238–3241 (2013). https://doi.org/10.1002/ange.201207972 CrossRef

28.

X.-M. Luo, T. Jian, L.-J. Cheng, W.-L. Li, Q. Chen, R. Li, H.-J. Zhai, S.-D. Li, A.I. Boldyrev, J. Li, L.-S. Wang, B \(_{26}^{-}\): the smallest planar boron cluster with a hexagonal vacancy and a complicated potential landscape. Chem. Phys. Lett. 683, 336–341 (2017). https://doi.org/10.1016/j.cplett.2016.12.051

29.

A.J. Mannix, X.-F. Zhou, B. Kiraly, J.D. Wood, D. Alducin, B.D. Myers, X. Liu, B.L. Fisher, U. Santiago, J.R. Guest, M.J. Yacaman, A. Ponce, A.R. Oganov, M.C. Hersam, N.P. Guisinger, Synthesis of borophenes: anisotropic, two-dimensional boron polymorphs. Science 350(6267), 1513–1516 (2015). https://doi.org/10.1126/science.aad1080 CrossRef

30.

E.S. Penev, S. Bhowmick, A. Sadrzadeh, B.I. Yakobson, Polymorphism of two-dimensional boron. Nano Lett. 12(5), 2441–2445 (2012). https://doi.org/10.1021/nl3004754 CrossRef

31.

Z.A. Piazza, H.-S. Hu, W.-L. Li, Y.-F. Zhao, J. Li, L.-S. Wang, Planar hexagonal B ₃₆ as a potential basis for extended single-atom layer boron sheets. Nat. Commun. 5(1), 3113 (2014). https://doi.org/10.1038/ncomms4113

32.

H. Prinzbach, A. Weiler, P. Landenberger, F. Wahl, J. Wörth, L.T. Scott, M. Gelmont, D. Olevano, B. Issendorff, Gas-phase production and photoelectron spectroscopy of the smallest fullerene, C ₂₀. Nature 407(6800), 60–63 (2000). https://doi.org/10.1038/35024037 CrossRef

33.

P. Ranjan, T.K. Sahu, R. Bhushan, S. SRKC Yamijala, D.J. Late, P. Kumar, A. Vinu, Freestanding borophene and its hybrids. Adv. Mater. 31(27), 1900353 (2019). https://doi.org/10.1002/adma.201900353

34.

A. Ricca, C.W. Bauschlicher, The structure and stability of B \(_{n}^{+}\) clusters. Chem. Phys. 208(2), 233–242 (1996). http://www.sciencedirect.com/science/article/pii/0301010496000687. https://doi.org/10.1016/0301-0104(96)00068-7

35.

A. Sadrzadeh, O.V. Pupysheva, A.K. Singh, B.I. Yakobson, The boron buckyball and its precursors: an electronic structure study. J. Phys. Chem. A 112(51), 13679–13683 (2008). https://doi.org/10.1021/jp807406x CrossRef

36.

K. Shirai, Phase diagram of boron crystals. Jpn. J. Appl. Phys. 56(5S3), 05FA06 (2017). https://doi.org/10.7567/jjap.56.05fa06

37.

S.N. Shirodkar, E.S. Penev, B.I. Yakobson, Honeycomb boron: alchemy on aluminum pan? Sci. Bull. 63(5), 270–271 (2018). https://doi.org/10.1016/j.scib.2018.02.019 CrossRef

38.

A.K. Singh, A. Sadrzadeh, B.I. Yakobson, Probing properties of boron α-tubes by ab initio calculations. Nano Lett. 8(5), 1314–1317 (2008). https://doi.org/10.1021/nl073295o CrossRef

39.

S. Suehara, T. Aizawa, T. Sasaki, Graphenelike surface boron layer: structural phases on transition-metal diborides (0001). Phys. Rev. B 81(8), 085423 (2010). https://doi.org/10.1103/physrevb.81.085423

40.

D.B. Sullenger, K.D. Phipps, P.W. Seabaugh, C.R. Hudgens, D.E. Sands, J.S. Cantrell, Boron modifications produced in an induction-coupled argon plasma. Science 163(3870), 935–937 (1969). https://science.sciencemag.org/content/163/3870/935 CrossRef

41.

H. Tang, S. Ismail-Beigi, Novel precursors for boron nanotubes: the competition of two-center and three-center bonding in boron sheets. Phys. Rev. Lett. 99(11), 115501 (2007). https://doi.org/10.1103/physrevlett.99.115501

42.

T. Tarkowski, J.A. Majewski, N. Gonzalez Szwacki, Energy decomposition analysis of neutral and negatively charged borophenes. FlatChem 7, 42–47 (2018). https://doi.org/10.1016/j.flatc.2017.08.004 CrossRef

43.

J. Tian, Z. Xu, C. Shen, F. Liu, N. Xu, H.-J. Gao, One-dimensional boron nanostructures: Prediction, synthesis, characterizations, and applications. Nanoscale 2(8), 1375 (2010). https://doi.org/10.1039/c0nr00051e

44.

M.J. van Setten, M.A. Uijttewaal, G.A. de Wijs, & R.A. de Groot, Thermodynamic stability of boron: the role of defects and zero point motion. J. Am. Chem. Soc. 129(9), 2458–2465 (2007). https://doi.org/10.1021/ja0631246. PMID: 17295480 CrossRef

45.

K. Wade, The structural significance of the number of skeletal bonding electron-pairs in carboranes, the higher boranes and borane anions, and various transition-metal carbonyl cluster compounds. J. Chem. Soc. D 792–793 (1971). http://doi.org/10.1039/C29710000792

46.

R. Wu, I.K. Drozdov, S. Eltinge, P. Zahl, S. Ismail-Beigi, I. Božović, A. Gozar, Large-area single-crystal sheets of borophene on Cu(111) surfaces. Nature Nanotechnol. 14(1), 44–49 (2019). https://doi.org/10.1038/s41565-018-0317-6 CrossRef

47.

X. Wu, J. Dai, Y. Zhao, Z. Zhuo, J. Yang, X.C. Zeng, Two-dimensional boron monolayer sheets. ACS Nano 6(8), 7443–7453 (2012). https://doi.org/10.1021/nn302696v CrossRef

48.

X. Yang, Y. Ding, J. Ni, Ab initio prediction of stable boron sheets and boron nanotubes: structure, stability, and electronic properties. Phys. Rev. B 77(4), 041402(R) (2008). https://doi.org/10.1103/physrevb.77.041402

49.

X. Yu, L. Li, X.-W. Xu, C.-C. Tang, Prediction of two- dimensional boron sheets by particle swarm optimization algorithm. J. Phys. Chem. C 116(37), 20075–20079 (2012). https://doi.org/10.1021/jp305545z CrossRef

50.

H.-J. Zhai, B. Kiran, J. Li, L.-S. Wang, Hydrocarbon analogues of boron clusters – planarity, aromaticity and antiaromaticity. Nat. Mater. 2(12), 827–833 (2003). https://doi.org/10.1038/nmat1012 CrossRef

51.

Z. Zhang, E.S. Penev, B.I. Yakobson, Polyphony in B flat. Nat. Chem. 8(6), 525–527 (2016). https://doi.org/10.1038/nchem.2521 CrossRef

52.

Z. Zhang, S.N. Shirodkar, Y. Yang, B.I. Yakobson, Gate-voltage control of borophene structure formation. Angew. Chem. Int. Ed. 56(48), 15421–15426 (2017). https://doi.org/10.1002/anie.201705459 CrossRef

Title

A Historical Review of Theoretical Boron Allotropes in Various Dimensions

Book

2D Boron: Boraphene, Borophene, Boronene

Print ISBN: 978-3-030-49998-3

Electronic ISBN: 978-3-030-49999-0

https://doi.org/10.1007/978-3-030-49999-0

DOI

https://doi.org/10.1007/978-3-030-49999-0_1

Authors:

Nevill Gonzalez Szwacki
Iwao Matsuda

Publisher

Springer International Publishing

Sequence number

Chapter number

Chapter 1