Anisotropic Mechanical Properties of Black Phosphorus Nanoribbons

Chen, Hao; Huang, Peng; Guo, Dan

doi:10.1021/acs.jpcc.6b10644

Cited by 67 publications

(75 citation statements)

References 44 publications

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“…Unlike single-layer 2d-MoS2, both undeformed and deformed phosphorene have orthorhombic (pman) layer group symmetry with distinct structural anisotropy that translates into anisotropy of mechanical, electrical, and optical properties. 37,38,[51][52][53][54][55] As can be seen in Figure 3, unstrained phosphorene is a semiconductor with computed near-direct band gap of 0.79 eV. Here, the CBM and VBM are at Γ point and Γ-Y symmetry line near Γ point, respectively, in good agreement with previous studies.…”

Section: Strain-induced Effects In Phosphorenesupporting

confidence: 89%

First-Principles Mapping of the Electronic Properties of Two-Dimensional Materials for Strain-Tunable Nanoelectronics

Sopiha

Malyi

Persson

2019

ACS Appl. Nano Mater.

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Herein, we demonstrate that first-principles calculations can be used for mapping electronic properties of two-dimensional (2d) materials with respect to non-uniform strain. By investigating four representative single-layer 2d compounds with different symmetries and bonding characters, namely 2d-MoS2, phosphorene, α-Te, and β-Te, we reveal that such a mapping can be an effective guidance for advanced strain engineering and development of strain-tunable nanoelectronics devices, including transistors, sensors, and photodetectors. Thus, we show that α-Te and β-Te are considerably more elastic compared to the 2d compounds with strong chemical bonding. In case of β-Te, the mapping uncovers an existence of curious regimes where non-uniform deformations allow to achieve unique localization of band edges in momentum space that cannot be realized under either uniform or uniaxial deformations. For all other systems, the strain mapping is shown to provide deeper insight into the known trends of band gap modulation and direct-indirect transitions under strain. Hence, we prove that the standard way of analyzing selected strain directions is insufficient for some 2d systems, and a more general mapping strategy should be employed instead.

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Section: Strain-induced Effects In Phosphorenesupporting

confidence: 89%

First-Principles Mapping of the Electronic Properties of Two-Dimensional Materials for Strain-Tunable Nanoelectronics

Sopiha

Malyi

Persson

2019

ACS Appl. Nano Mater.

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“…For each thickness, the thermal conductivity anisotropy ratio between ZZ and AC is constant around 2. This ratio is comparable to that of Young's modulus between ZZ and AC summarized in Figure b, where the first‐principles calculation and experimental measurement results are compared. The overall simulated Young's modulus, even for single layer phosphorene, is comparable to that of experimentally measured data and its ratio between ZZ and AC is around 2.2 ± 0.6.…”

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confidence: 75%

Probing the Physical Origin of Anisotropic Thermal Transport in Black Phosphorus Nanoribbons

et al. 2018

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van der Waals interactions, making the material suitable for exfoliation. Layerdependent bandgap has also been reported previously [2,3] in BP like in the transition metal dichalcogenides (TMDCs). Because of its special puckered honeycomb structure formed by covalently-bonded phosphorus atoms, BP shows interesting angle-dependent transport properties. [1,2,6] Thus far, while extensive studies on electrical and optoelectronic applications of BP have been carried out, thermal transport measurement of BP is rarely explored.Theoretically, it has been calculated that phonon transport in BP is anisotropic, where the thermal conductivity along the zigzag (ZZ) direction is larger than that along the armchair (AC) direction [7,8] and an anisotropy around 3 was estimated by first-principles calculation. [9] Nevertheless, results from experimental studies on the thermal transport anisotropy of BP diverge significantly. By means of micro-Raman spectroscopy, Luo et al. [10] measured the thermal conductivity of BP thin films to yield an anisotropy ratio around 2 between ZZ and AC directions and this value dropped to ≈1.5 for thinner films. Similarly, a thermal conductivity anisotropy ratio of 1.85 was obtained using the thermal Black phosphorus (BP) has emerged as a promising candidate for next-generation electronics and optoelectronics among the 2D family materials due to its extraordinary electrical/optical/optoelectronic properties. Interestingly, BP shows strong anisotropic transport behavior because of its puckered honeycomb structure. Previous studies have demonstrated the thermal transport ani sotropy of BP and theoretically attribute this to the anisotropy in both the phonon dispersion relation and the phonon relaxation time. However, the exact origin of such strong anisotropy lacks clarity and has yet to be proven experimentally. Here, the thermal transport anisotropy of BP nanoribbons is probed by an electron beam technique. Direct evidence is provided that the origin of this anisotropy is dominated by the anisotropic phonon group velocity, verified by Young's modulus measurements along different directions. It turns out that the ratio of the thermal conductivity between zigzag (ZZ) and armchair (AC) ribbons is almost same as that of the corresponding Young modulus values. The results from first-principles calculation are consistent with this experimental observation, where the anisotropic phonon group velocity between ZZ and AC is shown. These results provide fundamental insight into the anisotropic thermal transport in low-symmetry crystals.Black phosphorus (BP) has attracted considerable attention as a promising 2D material due to its high hole mobility [1,2] and tunable bandgap. [3][4][5] Similar to graphene and other 2D materials, atomic layers in black phosphorus are stacked together through Figure 5. Calculated phonon dispersion of bulk black phosphorus.Γ-X corresponds to the armchair direction of the primitive cell, and Γ-Y denotes the zigzag direction. According to Jain and McGaughey, [9] the sound velocity ...

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“…First, BP nanosheets have higher mechanical strength. The ideal elastic moduli of zigzag and armchair BP nanoribbons are approximately 65 and 27 GPa, respectively [26]. Morenomoreno et al [67] investigated the effects of environmental conditions on the mechanical properties of few-layer BP, and the results indicated that the elastic modulus and the breaking strength of BP nanosheets were 46 ± 10 GPa and 2.1 ± 1 GPa, respectively.…”

Section: Potential Of Bp As Lubricantsmentioning

confidence: 99%

Black phosphorus as a new lubricant

2018

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Abstract:In recent years, a new 2D-layered material-black phosphorus (BP)-has been a rising star after the era of graphene owing to its high charge carrier mobility, tunable direct bandgap and unique in-plane anisotropic structure. With the development of the synthesis and modification methods of BP, its extensive applications, e.g., transistors, batteries and optoelectronics have emerged. In order to explore its full potential, research into the tribological properties of BP 2D-layered materials such as lubrication additives and fillers in self-lubricating composite materials would be not only of high scientific value but also of practical significance. In this work, recent advances on the friction and lubrication properties of BP nanosheets made by our group, including the micro-friction properties, the lubrication properties of BP nanosheets as water-based and oil-based lubrication additives, and the friction and wear of BP/PVDF composites will be presented. Finally, the future challenges and opportunities in the use of BP materials as lubricants will be discussed.

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Anisotropic Mechanical Properties of Black Phosphorus Nanoribbons

Cited by 67 publications

References 44 publications

First-Principles Mapping of the Electronic Properties of Two-Dimensional Materials for Strain-Tunable Nanoelectronics

First-Principles Mapping of the Electronic Properties of Two-Dimensional Materials for Strain-Tunable Nanoelectronics

Probing the Physical Origin of Anisotropic Thermal Transport in Black Phosphorus Nanoribbons

Black phosphorus as a new lubricant

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