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Two-dimensional transition metal dichalcogenides (TMDC) have shown promise for various applications in optoelectronics and so-called valleytronics. Their operation and performance strongly depend on the stacking of individual layers. Here,…

Materials Science · Physics 2020-09-28 J. E. Zimmermann , B. Li , J. Hone , U. Höfer , G. Mette

We demonstrate a simple and effective technique for dispersing pristine (unfunctionalized) graphene at high concentrations in a wide range of organic solvents by use of a stabilizing polymer (polyvinylpyrrolidone, PVP). These…

Transition-metal dichalcogenide (TMD) semiconductors have been widely studied due to their distinctive electronic and optical properties. The property of TMD flakes is a function of its thickness, or layer number (N). How to determine N of…

Materials Science · Physics 2016-03-01 Xiao-Li Li , Xiao-Fen Qiao , Wen-Peng Han , Xin Zhang , Qing-Hai Tan , Tao Chen , Ping-Heng Tan

Chemical vapor deposition has been most recently employed to fabricate centimeter-scale high-quality single-layer MoSi2N4 (Science; 2020;369; 670). Motivated by this exciting experimental advance, herein we conduct extensive…

Monolayers (ML) of Group-6 transition-metal dichalcogenides (TMDs) are semiconducting two-dimensional materials with direct bandgap, showing promising applications in various fields of science and technology, such as nanoelectronics and…

Computational Physics · Physics 2020-06-24 Mohammad Bahmani , Mahdi Faghihnasiri , Michael Lorke , Agnieszka-Beata Kuc , Thomas Frauenheim

Atomically thin two dimensional (2D) layered materials have emerged as a new class of material for nanoelectromechanical systems (NEMS) due to their extraordinary mechanical properties and ultralow mass density. Among them, graphene has…

Mesoscale and Nanoscale Physics · Physics 2015-05-28 C. Samanta , P. R. Yasasvi Gangavarapu , A. K. Naik

The possibility of tailoring the critical strain of 2D materials will be crucial for the fabrication of flexible devices. In this paper, the fracture in polycrystalline MoS2 films with two different grain orientations is studied at the…

Applied Physics · Physics 2019-12-03 M. Sledzinska , G. Jumbert , M. Placidi , A. Arrighi , P. Xiao , F. Alzina , C. M. Sotomayor Torres

Combining the electronic properties of graphene and molybdenum disulphide (MoS$_2$) monolayers in two-dimensional (2D) ultrathin hybrid nanocomposites have been synthesized experimentally to create excellent electronic, electrochemical,…

Materials Science · Physics 2016-03-03 Wei Hu , Tian Wang , Jinlong Yang

Vertically stacked van der Waals heterostructures are a lucrative platform for exploring the rich electronic and optoelectronic phenomena in two-dimensional materials. Their performance will be strongly affected by impurities and defects at…

The structural, elastic and electronic properties of two-dimensional (2D) titanium carbide/nitride based pristine (Tin+1Cn/Tin+1Nn) and functionalized MXenes (Tin+1CnT2/Tin+1NnT2, T stands for the terminal groups: -F, -O and -OH, n = 1, 2,…

Materials Science · Physics 2018-07-06 Ning Zhang , Yu Hong , Sanaz Yazdanparast , Mohsen Asle Zaeem

The control over the structural homogeneity is of paramount importance for ternary nitride compounds - the second most important semiconducting material-class after Si, due to its unrivalled applicability in optoelectronics, and high…

Materials Science · Physics 2018-11-01 Rafal Jakiela , Katarzyna Gas , Maciej Sawicki , Adam Barcz

We use molecular dynamics simulation to study the exfoliation of graphene and fluorographene in molecular and ionic liquids, by performing computer experiments in which one layer of the 2D nanomaterial is peeled from a stack, in vacuum and…

Mesoscale and Nanoscale Physics · Physics 2018-02-07 Emilie Bordes , Joanna Szala-Bilnik , Agílio A. H. Pádua

We have demonstrated a method to disperse and exfoliate graphite to give graphene suspended in water-surfactant solutions. Optical characterisation of these suspensions allowed the partial optimisation of the dispersion process.…

Materials Science · Physics 2008-09-17 Y Hernandez , M Lotya , V Nicolosi , FM Blighe , S De , G Duesberg , JN Coleman

Layered transition metal dichalcogenides display a wide range of attractive physical and chemical properties and are potentially important for various device applications. Here we report the electronic transport and device properties of…

Mesoscale and Nanoscale Physics · Physics 2014-01-21 Wenjuan Zhu , Tony Low , Yi-Hsien Lee , Han Wang , Damon B. Farmer , Jing Kong , Fengnian Xia , Phaedon Avouris

Inelastic x-ray scattering (IXS) with very high (meV) energy resolution has become a valuable spectroscopic tool, complementing the well established coherent inelastic neutron scattering (INS) technique for phonon dispersion investigations.…

Strongly Correlated Electrons · Physics 2009-11-07 M. d'Astuto , P. K. Mang , P. Giura , A. Shukla , A. Mirone , M. Krisch , F. Sette , P. Ghigna , M. Braden , M. Greven

A simple method to describe spatially dispersive metasurfaces is proposed where the angle-dependent surface susceptibilities are explicitly used to formulate the zero thickness sheet model of practical metasurface structures. It is shown…

Applied Physics · Physics 2021-08-17 João G. Nizer Rahmeier , Tom J. Smy , Jordan Dugan , Shulabh Gupta

Plastic inhomogeneity, particularly localised strain, is one of the main mechanisms responsible for failures in engineering alloys. This work studied the spatial arrangement and distribution of microstructure and their influence in the…

Materials Science · Physics 2023-03-21 Jalal Al-Lami , Thibaut Dessolier , Talha Pirzada , Minh-Son Pham

We conducted density functional theory (DFT) and molecular dynamics simulations to explore the mechanical/failure, thermal conductivity and stability, electronic and optical properties of three N-graphdiyne nanomembranes. Our DFT results of…

Computational Physics · Physics 2018-05-14 Bohayra Mortazavi , Meysam Makaremi , Masoud Shahrokhi , Zheyong Fan , Timon Rabczuk

Ternary chalcogenides have been of recent investigation for applications in photovoltaic and thermoelectric devices. We study the structural, electronic, optical, and thermoelectric properties of nine ternary chalcogenides, NaAX$_{2}$,…

Materials Science · Physics 2020-06-05 I. S. Khare , N. J. Szymanski , D. Gall , R. E. Irving

In the field of atomically thin 2D materials, oxides are relatively unexplored in spite of the large number of layered oxide structures amenable to exfoliation. There is an increasing interest in ultra-thin film oxide nanostructures from…