Strong Thermal Transport Anisotropy and Strain Modulation in Single-Layer Phosphorene

The effects of size, strain, and vacancies on thermal properties of armchair phosphorene nanotubes are investigated through molecular dynamics simulations. It is found that the thermal conductivity has a remarkable size effect because of the restricted paths for phonon transport, strongly depending on the diameter and length of nanotube. Owing to the intensified low-frequency phonons, axial tensile strain can facilitate thermal transport. On the contrary, compressive strain weakens thermal transport due to the enhanced phonon scattering around the buckling of nanotube. In addition, the thermal conductivity is dramatically reduced by single vacancies, especially upon high defect concentrations.

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“…phosphorene, and revealed that the change of phonon transmission accounts for this anomalous effect [12].…”

Section: Resultsmentioning

confidence: 99%

Thermal conductivity of armchair black phosphorus nanotubes: a molecular dynamics study

et al. 2016

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“…Previous theoretical works usually rely on the solution of PBTE using the single-mode relaxation time approximation (SMRTA). [ 11,12,14 ] Under the SMRTA, the relaxation process of a specifi c phonon mode is assumed to be independent to the states of other phonons, which are regarded as staying in their own equilibrium states. The relaxation time of a phonon mode is thus considered to be irrelevant to the direction of the imposed temperature gradient, but an intrinsic property of the phonon mode, which was calculated using the third-order anharmonic force constants from the fi rst-principles calculation.…”

Section: Discussionmentioning

confidence: 99%

Revealing the Origins of 3D Anisotropic Thermal Conductivities of Black Phosphorus

Zhu

Park

Chen

et al. 2016

Adv Elect Materials

103

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optical, [6][7][8] and thermal properties. [9][10][11][12][13][14][15][16][17][18] BP has an orthorhombic structure with puckered layers of sp 3 -hybridized phosphorus atoms along the armchair direction and van der Waals interactions between layers. [ 2 ] The structure of BP makes it the most thermodynamically stable phosphorus allotrope at ambient temperature and pressure. Both monolayer (also called phosphorene) and few-layer BP fl akes obtained from mechanical exfoliation [ 19,20 ] have proven to be anisotropic 2D semiconductors with high carrier mobility, [ 5,[19][20][21] possessing a direct band gap tunable from 0.3 to 1.0 eV. [ 22 ] This combination of properties makes BP a great candidate for use in the next generation nanoelectronic and nanophotonic devices, compared even favorably to other well-studied 2D materials such as graphene, hexagonal boron nitride, and molybdenum disulfi de. [23][24][25] One unique feature of BP is the inverse dependence of its in-plane electronic and thermal transport on the crystalline orientation: a higher electrical conductivity is associated with a lower thermal conductivity in the armchair direction and vice versa for the zigzag direction, which has been predicted in previous studies. [ 4,9 ] To date, experimental investigations on the anisotropic thermal properties of BP mainly focused on thin fi lms; thermal

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“…99 It also shows strong thermal anisotropy and the orientation-dependent figure of merit ZT value that is larger along the AM than the ZZ direction. However, the Seebeck coefficient is practically isotropic 28,[100][101][102] (Fig. 6a).…”

Section: Applications Of Phosphorene Electronic Devices and Sensorsmentioning

confidence: 97%

“…12,25 Phosphorene also has strong anisotropic phonon dispersions that lead to much larger group velocities along the ZZ direction than those along the AM direction. [26][27][28] This is the reason for a strong orientation-dependent shear modulus 29 and thermal transport. 30 Strong anisotropic behavior, showing thickness and spectral dependence, is also observed for electron-photon and electron-phonon interactions.…”

mentioning

confidence: 99%

Recent advances in synthesis, properties, and applications of phosphorene

et al. 2017

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Since its first fabrication by exfoliation in 2014, phosphorene has been the focus of rapidly expanding research activities. The number of phosphorene publications has been increasing at a rate exceeding that of other two-dimensional materials. This tremendous level of excitement arises from the unique properties of phosphorene, including its puckered layer structure. With its widely tunable band gap, strong in-plane anisotropy, and high carrier mobility, phosphorene is at the center of numerous fundamental studies and applications spanning from electronic, optoelectronic, and spintronic devices to sensors, actuators, and thermoelectrics to energy conversion, and storage devices. Here, we review the most significant recent studies in the field of phosphorene research and technology. Our focus is on the synthesis and layer number determination, anisotropic properties, tuning of the band gap and related properties, strain engineering, and applications in electronics, thermoelectrics, and energy storage. The current needs and likely future research directions for phosphorene are also discussed. , there has been a quest for new two-dimensional (2D) materials aimed at fully exploring new fundamental phenomena stemming from quantum confinement and size effects. This quest has spurred new areas of research with rapid growth from both theoretical and experimental fronts aimed at technological advancements. Among recently discovered 2D materials, phosphorene is one of the most intriguing due to its exotic properties and numerous foreseeable applications.2 This review discusses recent advances in phosphorene research with special emphasis on: (i) fabrication and techniques for rapid identification of the number of layers; (ii) anisotropic behavior; (iii) band gap and property tuning; (iv) strain engineering and mechanical properties; (v) devices and applications; and (vi) future directions.2D materials composed of a single-atom-thick or a singlepolyhedral-thick layer can be grouped into diverse categories.

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Strong Thermal Transport Anisotropy and Strain Modulation in Single-Layer Phosphorene

Cited by 257 publications

References 45 publications

Thermal conductivity of armchair black phosphorus nanotubes: a molecular dynamics study

Thermal conductivity of armchair black phosphorus nanotubes: a molecular dynamics study

Revealing the Origins of 3D Anisotropic Thermal Conductivities of Black Phosphorus

Recent advances in synthesis, properties, and applications of phosphorene

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