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Large-scale atomistic simulations using the reactive empirical bond order force field approach is implemented to investigate thermal and mechanical properties of single-layer (SL) and multi-layer (ML) molybdenum disulfide (MoS$_2$). The…

Materials Science · Physics 2015-06-23 Sandeep Kumar Singh , M. Neek-Amal , S. Costamagna , F. M. Peeters

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

Combining MoS$_2$ monolayers to form multilayers allows to access new functionalities. In this work, we examine the correlation between the stacking order and the interlayer coupling of valence states in MoS$_2$ homobilayer samples grown by…

Molybdenum disulfide (MoS$_2$) is a high-potential material for nanoelectronic applications, especially when thinned to a few layers. Liquid phase exfoliation enables large-scale fabrication of thin films comprising single- and few-layer…

Materials Science · Physics 2024-11-19 Alireza Ghasemifard , Agnieszka Kuc , Thomas Heine

Single-layer MoS2 is an attractive semiconducting analogue of graphene that combines high mechanical flexibility with a large direct bandgap of 1.8 eV. On the other hand, bulk MoS2 is an indirect bandgap semiconductor similar to silicon,…

The potential application of the single-layer MoS2 as photocatalyst was revealed in this work based on first-principles calculations. It is found that the pristine single-layer MoS2 is a good candidate for photocatalyst, and its catalyzing…

Materials Science · Physics 2013-05-15 Yunguo Li , Yan-ling Li , Carlos Moyses Araujo , Wei Luo , Rajeev Ahuja

We derive, from an empirical interaction potential, an analytic formula for the elastic bending modulus of single-layer MoS2 (SLMoS2). By using this approach, we do not need to define or estimate a thickness value for SLMoS2, which is…

Materials Science · Physics 2013-10-03 Jin-Wu Jiang , Zenan Qi , Harold S. Park , Timon Rabczuk

Recently emerging large-area single-layer MoS2 grown by chemical vapor deposition has triggered great interest due to its exciting potential for applications in advanced electronic and optoelectronic devices. Unlike gapless graphene, MoS2…

Understanding the stress transfer mechanisms from a polymer matrix to two-dimensional reinforcements is essential for the preparation of high performance nanocomposites. In this study, the interfacial stress transfer from a flexible polymer…

Materials Science · Physics 2022-10-19 Ming Dong , Robert J. Young , David J. Dunstan , Dimitrios G. Papageorgiou

We perform classic molecular dynamics simulations to comparatively investigate the mechanical properties of single-layer MoS2 and a graphene/MoS2/graphene heterostructure under uniaxial tension. We show that the lattice mismatch between…

Materials Science · Physics 2014-07-29 Jin-Wu Jiang , Harold S. Park

The new generation of two-dimensional (2D) materials has shown a broad range of applications for optical and electronic devices. Understanding the properties of these materials when integrated with the more traditional three-dimensional…

Two-dimensional materials such as transitional metal dichalcogenides exhibit unique optical and electrical properties. Here we report on the varying optical properties of CVD grown MoS2 monolayer flakes with different shapes. In particular,…

Applied Physics · Physics 2020-03-18 Siwei Luo , Conor P. Cullen , Gencai Guo , Jianxin Zhong , Georg S. Duesberg

Innovative applications based on two-dimensional solids require cost-effective fabrication processes resulting in large areas of high quality materials. Chemical vapour deposition is among the most promising methods to fulfill these…

Molybdenum disulfide (MoS2) is a layered semiconductor which has become very important recently as an emerging electronic device material. Being an intrinsic semiconductor the two-dimensional MoS2 has major advantages as the channel…

Mesoscale and Nanoscale Physics · Physics 2013-04-02 Ferdows Zahid , Lei Liu , Yu Zhu , Jian Wang , Hong Guo

We report highly efficient non-radiative energy transfer from cadmium selenide (CdSe) quantum dots to monolayer and few-layer molybdenum disulfide (MoS2). The quenching of the donor quantum dot photoluminescence increases as the MoS2 flake…

Mesoscale and Nanoscale Physics · Physics 2015-05-07 Ferry Prins , Aaron J. Goodman , William A. Tisdale

A plethora of different morphologies are fabricated by the self assembly of molybdenum disulphide (MoS2) exfoliated flakes with the help of Langmuir-Blodgett (LB) technique at the liquid/air interface. The MoS2 flakes are chemically…

Materials Science · Physics 2017-01-11 Harneet Kaur , Ved Varun Agrawal , Ritu Srivastava

We present results of atomic-force-microscopy-based friction measurements on Re-doped molybdenum disulfide (MoS2). In stark contrast to the widespread observation of decreasing friction with increasing number of layers on two-dimensional…

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 success of isolating small flakes of atomically thin layers through mechanical exfoliation has triggered enormous research interest in graphene and other two-dimensional materials. For device applications, however, controlled large-area…

Materials Science · Physics 2014-07-17 Yingnan Liu , Rudresh Ghosh , Di Wu , Ariel Ismach , Rodney Ruoff , Keji Lai

Monolayers of transition metal dichalcogenides are semiconducting materials which offer many prospects in optoelectronics. A monolayer of molybdenum disulfide (MoS2) has a direct bandgap of 1.88 eV. Hence, when excited with optical photon…