Effects of Defects on the Temperature‐Dependent Thermal Conductivity of Suspended Monolayer Molybdenum Disulfide Grown by Chemical Vapor Deposition

Yarali, Milad; Wu, Xing; Gupta, Tushar; Ghoshal, Debjit; Xie, Lingling; Zhu, Zhuan; Brahmi, Hatem; Bao, Jiming; Chen, Shuo; Luo, Tengfei; Koratkar, Nikhil; Mavrokefalos, Anastassios

doi:10.1002/adfm.201704357

Cited by 49 publications

(54 citation statements)

References 64 publications

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“…156 56 Also in this context, MoS 2 is the most studied among the TMD crystals. 69 Its defects and their influences on various physical properties have been extensively investigated, both experimentally [157][158][159][160][161][162][163][164][165][166][167] and theoretically. 165,[168][169][170][171][172][173][174] In comparison, a relatively smaller number of works have focused on other TMDs, and in particular MoWSeS materials.…”

Section: Materials and Propertiesmentioning

confidence: 99%

Molecular chemistry approaches for tuning the properties of two-dimensional transition metal dichalcogenides

et al. 2018

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Two-dimensional (2D) semiconductors, such as ultrathin layers of transition metal dichalcogenides (TMDs), offer a unique combination of electronic, optical and mechanical properties, and hold potential to enable a host of new device applications spanning from flexible/wearable (opto)electronics to energy-harvesting and sensing technologies. A critical requirement for developing practical and reliable electronic devices based on semiconducting TMDs consists in achieving a full control over their charge-carrier polarity and doping. Inconveniently, such a challenging task cannot be accomplished by means of well-established doping techniques (e.g. ion implantation and diffusion), which unavoidably damage the 2D crystals resulting in degraded device performances. Nowadays, a number of alternatives are being investigated, including various (supra)molecular chemistry approaches relying on the combination of 2D semiconductors with electroactive donor/acceptor molecules. As yet, a large variety of molecular systems have been utilized for functionalizing 2D TMDs via both covalent and non-covalent interactions. Such research endeavours enabled not only the tuning of the charge-carrier doping but also the engineering of the optical, electronic, magnetic, thermal and sensing properties of semiconducting TMDs for specific device applications. Here, we will review the most enlightening recent advancements in experimental (supra)molecular chemistry methods for tailoring the properties of atomically-thin TMDs - in the form of substrate-supported or solution-dispersed nanosheets - and we will discuss the opportunities and the challenges towards the realization of novel hybrid materials and devices based on 2D semiconductors and molecular systems.

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Section: Materials and Propertiesmentioning

confidence: 99%

Molecular chemistry approaches for tuning the properties of two-dimensional transition metal dichalcogenides

et al. 2018

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“…This part was not included in the SW potentials. From here on, we only use the REBO-LJ potential and the efficient HNEMD method, focusing on comparisons with experiments [8][9][10][11][12][13][14][15][16][17][18] and results from BTE approach combined with DFT calculations [19,20].…”

Section: Comparison Among the Empirical Potentials And With Experimentioning

confidence: 99%

“…Thermal conductivity as a function of the number of layers for MoS2 at 300 K and zero pressure. Sources of reference data: Liu [9]; Zhu [10]; Jiang [11]; Sahoo [12]; Jo [13]; Yan [14]; Zhang [15]; Bae [16]; Yarali [17]; Aiyiti [18]; Gu [20].…”

Section: Comparison Among the Empirical Potentials And With Experimentioning

confidence: 99%

“…Variations in the experimental results could be due to differences in the quality of each sample, measurement calibration, and the presence of thermal contact resistance. Indeed, some experimental samples[12,16,17] were grown by chemical vapor deposition (CVD), which are usually polycrystalline, consisting of grains separated by grain boundaries. It has been recently shown that dense grain boundaries can heavily reduce[69] the thermal conductivity of MoS 2 .…”

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Thermal transport in MoS2 from molecular dynamics using different empirical potentials

Gabourie

Hashemi

et al. 2019

Phys. Rev. B

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Thermal properties of molybdenum disulfide (MoS2) have recently attracted attention related to fundamentals of heat propagation in strongly anisotropic materials, and in the context of potential applications to optoelectronics and thermoelectrics. Multiple empirical potentials have been developed for classical molecular dynamics (MD) simulations of this material, but it has been unclear which provides the most realistic results. Here, we calculate lattice thermal conductivity of singleand multi-layer pristine MoS2 by employing three different thermal transport MD methods: equilibrium, nonequilibrium, and homogeneous nonequilibrium ones. These methods allow us to verify the consistency of our results and also facilitate comparisons with previous works, where different schemes have been adopted. Our results using variants of the Stillinger-Weber potential are at odds with some previous ones and we analyze the possible origins of the discrepancies in detail. We show that, among the potentials considered here, the reactive empirical bond order (REBO) potential gives the most reasonable predictions of thermal transport properties as compared to experimental data. With the REBO potential, we further find that isotope scattering has only a small effect on thermal conduction in MoS2 and the in-plane thermal conductivity decreases with increasing layer number and saturates beyond about three layers. We identify the REBO potential as a transferable empirical potential for MD simulations of MoS2 which can be used to study thermal transport properties in more complicated situations such as in systems containing defects or engineered nanoscale features. This work establishes a firm foundation for understanding heat transport properties of MoS2 using MD simulations.

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“…These 2D perovskites, in addition to being more stable, also show high quantum yields and high binding energy of excitons, hence serving as ideal platforms to study and manipulate light–matter interactions at the nanoscale . 2D perovskites, with their natural quantum confined layered structure, ideally bridge the gap between these two emerging classes of materials with exceptional optoelectronic properties: 2D materials and perovskites, bringing in the best of both worlds with superior in‐plane mobility, high binding energy, and enhanced stability …”

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confidence: 99%

Catalyst‐Free and Morphology‐Controlled Growth of 2D Perovskite Nanowires for Polarized Light Detection

Ghoshal

Wang

Tsai

et al. 2019

Advanced Optical Materials

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Ruddleson–Popper (RP) perovskites have emerged as a class of material inheriting the superior optoelectronic properties of two materials: perovskites and 2D materials. The large exciton binding energy and natural quantum well structure not only make these materials ideal platforms to study light–matter interactions but also render them suitable for fabrication of various functional optoelectronic devices. Nanoscale structuring and morphology control have led to semiconductors with enhanced functionalities. Nanowires of semiconducting materials are extensively used for important applications like lasing and sensing. However, catalyst and template‐free scalable growth of nanowires of 2D perovskites has remained elusive. In this paper, a facile approach for morphology‐controlled growth of nanowires of 2D perovskite, (BA)2PbI4, is demonstrated. Additionally, it is shown that the photoluminescence (PL) from the nanowires is highly polarized with a polarization ratio as large as ≈0.73, which is one of the largest reported for perovskites. It is further shown that the photocurrent from the hybrid nanowire/graphene device is also sensitive to the polarization of the incident light with the photocurrent anisotropy ratio of ≈3.62 (much larger than the previously reported value of 2.68 for perovskites), thus demonstrating the potential of these nanowires as highly efficient photodetectors for polarized light.

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Effects of Defects on the Temperature‐Dependent Thermal Conductivity of Suspended Monolayer Molybdenum Disulfide Grown by Chemical Vapor Deposition

Cited by 49 publications

References 64 publications

Molecular chemistry approaches for tuning the properties of two-dimensional transition metal dichalcogenides

Molecular chemistry approaches for tuning the properties of two-dimensional transition metal dichalcogenides

Thermal transport in MoS2 from molecular dynamics using different empirical potentials

Catalyst‐Free and Morphology‐Controlled Growth of 2D Perovskite Nanowires for Polarized Light Detection

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