Two‐Dimensional, but not Flat: An All‐Boron Graphene with a Corrugated Structure

Dewhurst, Rian D.; Claessen, R.; Braunschweig, Holger

doi:10.1002/anie.201601463

Cited by 21 publications

(3 citation statements)

References 36 publications

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“…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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confidence: 99%

Elasticity, Flexibility, and Ideal Strength of Borophenes

Zhang

Yang

Penev

et al. 2017

Adv Funct Materials

251

197

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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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confidence: 99%

Elasticity, Flexibility, and Ideal Strength of Borophenes

Zhang

Yang

Penev

et al. 2017

Adv Funct Materials

251

197

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“…[9,10] On the other hand, using the onsurface synthetic chemistry, boron-doped GNRs featuring armchair edges and well-defined width have been produced and regarded as a promising scaffold for dynamic control over electronic properties of GNRs and manipulation of spin states and thus magnetism. [11] Despite these great advances, boron-doping of MRs using solution-phase synthetic approach has rarely been explored so far, [12] which is due to the synthetic challenge caused by multistep sequences and insufficient stability of boron-containing intermediates and targets.…”

Section: Introductionmentioning

confidence: 99%

Ribbon‐Type Boron‐Doped Polycyclic Aromatic Hydrocarbons: Conformations, Dynamic Complexation and Electronic Properties

et al. 2022

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Molecular ribbons (MRs), one-dimentional topological polycyclic aromatic hydrocarbons (PAHs), are of importance for synthetic chemistry and material sciences. Herein, we disclose an effective strategy to develop boron-doped MRs, i.e. photochemical cyclization on conjugated organoboranes for rapid π-extension. A series of ribbon-type boron-doped PAHs that own multiple cove edges were synthesized using Mallory photoreaction in solution. Two of them feature isomeric C 68 B 2 π-skeletons with 2.2 nm in length, thus representing a new kind of boron-doped MRs. The boron atoms endow them with sufficient Lewis acidity, and notably, the formed Lewis acid-base adducts based on borondoped MRs display the photo-induced dual-dissociation behavior in the excited state and thus photochromism property. Moreover, despite of the highly contorted topological conformations, their potential utility as organic semiconductor was demonstrated by fabrication of organic field-effect transistors.

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“…Boron (1s 2 2s 2 2p 1 ) is an interesting element, possessing unique binding characters. It can form a large amount of allotropes characterized from zero-dimensional to three-dimensional structures, which have extensive applications based on their excellent properties. − Our previous reports indicate that boron and boron-based materials can be used as efficient adsorbents for CO 2 capture (B 80 , B 2 C, B 12 , and BN). − For boron materials, boron clusters have attracted ever-growing interests because of their excellent mechanical and electronic properties as well as strong chemical resistance abilities, high melting points, and light weights. ,, Among boron clusters, the boron double-ring family is one topic of current hotspots. Some small boron clusters have been successfully synthesized in the experiment and investigated with both theoretical and experimental methods .…”

Section: Introductionmentioning

confidence: 99%

B₈₀ Fullerene: A Promising Metal-Free Photocatalyst for Efficient Conversion of CO₂ to HCOOH

Qin

et al. 2019

J. Phys. Chem. C

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Developing photocatalysts with high efficiency and selectivity for CO 2 reduction is essential in the sight of both energy and environment. Through comprehensive density functional theory calculations, we have found that B 80 fullerene can be used as an excellent metal-free photocatalyst for reducing CO 2 to value-added chemicals in this report. Our results reveal that electron-deficient boron fullerene can effectively activate CO 2 (Lewis acid) through Lewis acid−base interactions on the three basic sites of B 80 (B 80 is an amphoteric molecule). The charge density difference analysis indicates that there are significant charge transfers between CO 2 and B 80 fullerene on the adsorption sites, which are responsible for the activations of CO 2 . On the basis of calculating the adsorption energies of the possible products (CO, HCOOH, CH 2 O, CH 3 OH, and CH 4 ) on B 80 fullerene and the possible reaction pathways producing these products, the B 80 fullerene shows high efficiency and selectivity for producing HCOOH. The minimum |U lim | (0.18 V) of the reaction pathway to produce HCOOH and weaker binding of HCOOH on B 80 fullerene (the adsorption energy is −0.51 eV) than the counterparts of CO 2 both indicate that the formation and release of HCOOH from the B 80 fullerene surface is feasible. In all, our work provides useful information for searching for an excellent metal-free photocatalyst for CO 2 reduction.

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Two‐Dimensional, but not Flat: An All‐Boron Graphene with a Corrugated Structure

Cited by 21 publications

References 36 publications

Elasticity, Flexibility, and Ideal Strength of Borophenes

Elasticity, Flexibility, and Ideal Strength of Borophenes

Ribbon‐Type Boron‐Doped Polycyclic Aromatic Hydrocarbons: Conformations, Dynamic Complexation and Electronic Properties

B₈₀ Fullerene: A Promising Metal-Free Photocatalyst for Efficient Conversion of CO₂ to HCOOH

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Two‐Dimensional, but not Flat: An All‐Boron Graphene with a Corrugated Structure

Cited by 21 publications

References 36 publications

Elasticity, Flexibility, and Ideal Strength of Borophenes

Elasticity, Flexibility, and Ideal Strength of Borophenes

Ribbon‐Type Boron‐Doped Polycyclic Aromatic Hydrocarbons: Conformations, Dynamic Complexation and Electronic Properties

B80 Fullerene: A Promising Metal-Free Photocatalyst for Efficient Conversion of CO2 to HCOOH

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Product

Resources

About

B₈₀ Fullerene: A Promising Metal-Free Photocatalyst for Efficient Conversion of CO₂ to HCOOH