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Molybdenum disulfide (MoS$_2$) is a promising material for making two-dimensional crystals and flexible electronic and optoelectronic devices at the nanoscale. MoS$_2$ flakes can show high mobilities and have even been integrated in…

Materials Science · Physics 2015-06-15 Mohamed Boukhicha , Matteo Calandra , Marie-Aude Measson , Ophelie Lancry , Abhay Shukla

Nanoscale defects such as dislocations, have a significant impact on the phonon thermal transport properties in non-metallic materials. To unravel these effects, understanding of defect phonon modes is essential. Herein, at the atomic…

MoS2 is one of the most investigated and promising transition-metal dichalcogenides. Its popularity stems from the interesting properties of the monolayer phase, which can serve as the fundamental block for numerous applications. In this…

Materials Science · Physics 2024-07-30 Riccardo Dettori , Francesco Siddi , Luciano Colombo , Claudio Melis

Electronic and thermoelectric properties of a two-dimensional MoS2 monolayer containing atomic defects are investigated using density functional theory. All the atomic defects have been found to exhibit endothermic nature. Electronic…

Mesoscale and Nanoscale Physics · Physics 2019-05-17 Munish Sharma , Ashok Kumar , P. K. Ahluwalia

Despite the concerted effort of several research groups, a detailed experimental account of defect dynamics in high-quality single- and few-layer transition metal dichalcogenides remain elusive. In this paper we report an experimental study…

Mesoscale and Nanoscale Physics · Physics 2019-07-04 Suman Sarkar , K. Lakshmi Ganapathi , Sangeneni Mohan , Aveek Bid

Transition metal dichalcogenide monolayers and heterostructures are highly tunable material systems that provide excellent models for physical phenomena at the two-dimensional (2D) limit. While most studies to date have focused on electrons…

Thermal transport property of homogeneous twisted molybdenum disulfide (MoS$_2$) is investigated using non-equilibrium molecular dynamics simulations with the state-of-art force fields. The simulation results demonstrate that the…

Computational Physics · Physics 2023-10-16 Wenwu Jiang , Ting Liang , Jianbin Xu , Wengen Ouyang

Modifying phonon thermal conductivity in nanomaterials is important not only for fundamental research but also for practical applications. However, the experiments on tailoring the thermal conductivity in nanoscale, especially in…

Mesoscale and Nanoscale Physics · Physics 2018-02-27 Adili Aiyiti , Shiqian Hu , Chengru Wang , Qing Xi , Zhaofang Cheng , Minggang Xia , Yanling Ma , Jianbo Wu , Jie Guo , Qilang Wang , Jun Zhou , Jie Chen , Xiangfan Xu , Baowen Li

The understanding of various types of disorders in atomically thin transition metal dichalcogenides (TMDs), including dangling bonds at the edges, chalcogen deficiencies in the bulk, and charges in the substrate, is of fundamental…

Mesoscale and Nanoscale Physics · Physics 2016-07-26 Di Wu , Xiao Li , Lan Luan , Xiaoyu Wu , Wei Li , Maruthi N. Yogeesh , Rudresh Ghosh , Zhaodong Chu , Deji Akinwande , Qian Niu , Keji Lai

Resonance Raman scattering, a very effective and sensitive technique for atomically thin semiconducting transition metal dichalcogenide, can be used to observe the phonons from the entire Brillouin zone. In addition to the significance of…

Materials Science · Physics 2023-02-06 Deepu Kumar , Nasaru Khan , Rahul Kumar , Mahesh Kumar , Pradeep Kumar

Phonon-phonon anharmonic effects have a strong influence on the phonon spectrum; most prominent manifestation of these effects are the softening (shift in frequency) and broadening (change in FWHM) of the phonon modes at finite temperature.…

We report Raman spectra measurements on a MoS2 monolayer supported on SiO2 as a function of temperature. Unlike in previous studies, the positions of the two main Raman modes, E2g1 and A1g exhibited nonlinear temperature dependence.…

Mesoscale and Nanoscale Physics · Physics 2014-06-13 Andrzej Taube , Jarosław Judek , Cezariusz Jastrzębski , Anna Duzynska , Krzysztof Świtkowski , Mariusz Zdrojek

Molecular vibrations play a critical role in the charge transport properties of weakly van der Waals bonded organic semiconductors. To understand which specific phonon modes contribute most strongly to the electron-phonon coupling and…

Electron-phonon scatterings in solid-state systems are pivotal processes in determining many key physical quantities such as charge carrier mobilities and thermal conductivities. Here, we report on the direct probing of phonon mode specific…

Mesoscale and Nanoscale Physics · Physics 2022-03-24 Duk Hyun Lee , Sang-Jun Choi , Hakseong Kim , Yong-Sung Kim , Suyong Jung

For conventional materials, the thermal conductivity of thin film is usually suppressed when the thickness decreases due to phonon-boundary scattering. However, this is not necessarily true for the van der Waals solids if the thickness is…

Materials Science · Physics 2016-03-01 Xiaokun Gu , Baowen Li , Ronggui Yang

The dielectric environment surrounding semiconductors plays a crucial role in determining device performance, a role that becomes especially pronounced in atomically thin semiconductors where charge carriers are confined within a few atomic…

Coherent phonons describe the collective, ultrafast motion of atoms and play a central role in light-induced structural dynamics. Here, we employ terahertz scanning tunneling microscopy (THz-STM) to excite and detect coherent phonons in…

Thermal transport in single layer molybdenum disulfide (MoS2) is critical to advancing its applications. In this paper, we use molecular dynamics (MD) simulations with first-principles force constants to study the isotope effect on the…

Materials Science · Physics 2015-10-06 Xufei Wu , Nuo Yang , Tengfei Luo

Layered molecular materials and especially MoS2 are already accepted as promising candidates for nanoelectronics. In contrast to the bulk material, the observed electron mobility in single-layer MoS2 is unexpectedly low. Here we reveal the…

Materials Science · Physics 2013-05-30 Andrey N. Enyashin , Maya Bar-Sadan , Lothar Houben , Gotthard Seifert

The electron-phonon interaction and related transport properties are investigated in monolayer silicene and MoS2 by using a density functional theory calculation combined with a full-band Monte Carlo analysis. In the case of silicene, the…

Mesoscale and Nanoscale Physics · Physics 2015-06-12 Xiaodong Li , Jeffrey T. Mullen , Zhenghe Jin , Kostyantyn M. Borysenko , M. Buongiorno Nardelli , Ki Wook Kim
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