Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs

Mannix, Andrew J.; Zhou, Xiang-Feng; Kiraly, Brian; Wood, Joshua D.; Alducin, Diego; Myers, Benjamin D.; Liu, Xiaolong; Fisher, Brandon; Santiago, Ulises; Guest, Jeffrey R.; Yacamán, Miguel José; Ponce, Arturo; Oganov, Artem R.; Hersam, Mark C.; Guisinger, Nathan P.

doi:10.1126/science.aad1080

Cited by 2,319 publications

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“…In addition, the ohmic heating generated during the battery operation is also proportional to the electronic conductivity of the electrode's solid particles used for ions storage. Worthy to remember that predicted pristine borophene sheets exhibit various structural polymorphs that they all are metallic 15,17 . In this work, minimized borophene structures covered by Ca, Mg, Na or Li ions were therefore selected for the electronic density of states (DOS) calculation.…”

Section: Resultsmentioning

confidence: 99%

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Borophene as an anode material for Ca, Mg, Na or Li ion storage: A first-principle study

Mortazavi

Dianat

Rahaman

et al. 2016

Journal of Power Sources

238

122

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Borophene, the boron atom analogue to graphene, being atomic thick have been just recently experimentally fabricated. In this work, we employ first-principles density functional theory calculations to investigate the interaction of Ca, Mg, Na or Li atoms with single-layer and free-standing borophene. We first identified the most stable binding sites and their corresponding binding energies as well and then we gradually increased the ions concentration. Our calculations predict strong binding energies of around 4.03 eV, 2.09 eV, 2.92 eV and 3.28 eV between the borophene substrate and Ca, Mg, Na or Li ions, respectively. We found that the binding energy generally decreases by increasing the ions content. Using the Bader charge analysis, we evaluate the charge transfer between the adatoms and the borophene sheet. Our investigation proposes the borophene as a 2D material with a remarkably high capacity of around 800 mAh/g, 1960 mAh/g, 1380 mAh/g and 1720 mAh/g for Ca, Mg, Na or Li ions storage, respectively. This study can be useful for the possible application of borophene for the rechargeable ion batteries.

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Section: Resultsmentioning

confidence: 99%

“…In line with the continuous advances in the fabrication of 2D materials, an exciting development has just taken place with respect to the synthesis of 2D boron films, so called borophene 15 . Interestingly, the existence of borophene and its metallic properties were already theoretically predicted 16,17 .…”

Section: Introductionmentioning

confidence: 99%

Borophene as an anode material for Ca, Mg, Na or Li ion storage: A first-principle study

Mortazavi

Dianat

Rahaman

et al. 2016

Journal of Power Sources

238

122

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“…For example, while all existing 3D boron allotropes are semiconducting at standard conditions, borophenes show metallic characteristic [30][31][32] , which also distinguishes them from other well studied 2D materials usually having bandgaps. Among the properties borophenes may offer, their mechanical properties are of particular interest and importance.…”

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confidence: 99%

“…Towards the synthesis of borophenes, several theoretical works [28][29] have suggested using metal substrates, such as Ag or Cu that may screen only a few of 2D boron structures. Very recently, two independent experiments have reported the successful synthesis of borophenes on Ag(111) by using molecular beam epitaxy methods [30][31] .…”

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confidence: 99%

“…40 The experimentally realized borophenes were characterized to be in different lattice phases. The triangular (v=0) and v 1/6 sheets were proposed as atomic models for a stripped phase 30,41 while the v 1/5 sheet was proposed for a phase showing a brick-wall pattern 31 in scanning tunneling microscopy images. The relaxed triangular sheet displays a washboard-like buckling structure due to an excess of electrons (Figure 1a), whereas the v 1/6 and v 1/5 sheets are purely planar because of their high HH concentrations making them both electron-deficient (Figure 1b and 1c).…”

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Elasticity, Flexibility, and Ideal Strength of Borophenes

Zhang

Yang

Penev

et al. 2017

Adv Funct Materials

273

199

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ABSTRACT:We study the mechanical properties of two-dimensional (2D) boron-borophenes -by first-principles calculations. The recently synthesized borophene with 1/6 concentration of hollow hexagons (HH) is shown to have in-plane modulus C up to 210 N/m and bending stiffness as low as D = 0.39 eV. Thus, its Foppl-von Karman number per unit area, defined as C/D, reaches 568 nm -2 , over twofold higher than graphene's value, establishing the borophene as one of the most flexible materials. Yet, the borophene has a specific modulus of 346 m 2 /s 2 and ideal strengths of 16 N/m, rivaling those (453 m 2 /s 2 and 34 N/m) of graphene. In particular, its structural fluxionality enabled by delocalized multi-center chemical bonding favors structural phase transitions under tension, which result in exceptionally small breaking strains yet highly ductile breaking behavior. These mechanical properties can be further tailored by varying the HH concentration, and the boron sheet without HHs can even be stiffer than graphene against tension. The record high flexibility combined with excellent elasticity in boron sheets can be utilized for designing composites and flexible systems.

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Aspects of the Chemical Energetics of Species with Carbon–Boron Bonds and Related Compounds

Slayden¹,

Liebman²

2020

Patai's Chemistry of Functional Groups

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In this chapter, we discuss selected energetics and thermochemical aspects of species with carbon–boron bonds. Although they lack a carbon–boron bond, atomic boron, its anion, and binary metal borides—the hypothetical alkali metal borides MB—and structurally complex metal borides are briefly introduced. Consideration of species with carbon–boron bonds begins with binary species such as the gas‐phase diatomic BC and the solid B 4 C and proceeds to the highly reactive methyl and phenyl derivatives of univalent borylene, BH. The question of regular behavior as homologous series is addressed for the relatively stable and long‐known classes of compounds, trialkylboranes and carboranes, with their normal (threefold) and higher boron‐coordination numbers. Trivalent boron and nitrogen species are then compared, first as organoboranes and amines, then as their organoborate and ammonium ions, and also as their “dimer” anions and cations. Pyridine borane complexes are likewise discussed and compared with benzene derivatives. Species with boron in the ring, borabenzenes and their amine complexes, are much more poorly understood. However, aromatic derivatives with both boron and nitrogen in the ring have evinced considerable interest, and the derivatives of the isomeric 1,2‐, 1,3‐, and 1,4‐azaborinines are described at some length. The chapter closes with species that contain oxygen along with boron, carbon, and hydrogen. Borane carbonyl (BH 3 CO), boronic acid derivatives, and boroxines are discussed.

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Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs

Cited by 2,319 publications

References 53 publications

Borophene as an anode material for Ca, Mg, Na or Li ion storage: A first-principle study

Borophene as an anode material for Ca, Mg, Na or Li ion storage: A first-principle study

Elasticity, Flexibility, and Ideal Strength of Borophenes

Aspects of the Chemical Energetics of Species with Carbon–Boron Bonds and Related Compounds

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