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Two-dimensional (2D) materials are strongly affected by the dielectric environment including substrates, making it an important factor in designing materials for quantum and electronic technologies. Yet, first-principles evaluation of…

Materials Science · Physics 2019-08-29 Dan Wang , Ravishankar Sundararaman

Defects can strongly influence the electronic, optical and mechanical properties of 2D materials, making defect stability under different thermodynamic conditions crucial for material-property engineering. In this paper, we present an…

Materials Science · Physics 2023-08-10 Alaa Akkoush , Yair Litman , Mariana Rossi

Point defects, though atomically small, significantly influence the properties of 2D materials. A general method for characterizing point defect density ($n_{ D }$) in graphenic materials with arbitrary layer number ($n_{ L }$) is currently…

Atomically thin two-dimensional (2D) transition metal dichalcogenides (TMDCs) are attractive materials for next generation nanoscale optoelectronic applications. Understanding nanoscale optical behavior of the edges and grain boundaries of…

Mesoscale and Nanoscale Physics · Physics 2016-10-07 A. E. Yore , K. K. H. Smithe , W. Crumrine , A. Miller , J. A. Tuck , B. Redd , E. Pop , Bin Wang , A. K. M. Newaz

Two-dimensional (2D) materials are a new class of materials with interesting physical properties and ranging from nanoelectronics to sensing and photonics. In addition to graphene, the most studied 2D material, monolayers of other layered…

Mesoscale and Nanoscale Physics · Physics 2013-06-25 Branimir Radisavljevic , Andras Kis

Chemical, mechanical, thermal and/or electronic properties of bulk or low-dimensional materials can be engineered by introducing structural defects to form novel functionalities. When using particles irradiation, these defects can be…

Materials Science · Physics 2022-02-07 L. Basta , A. Moscardini , S. Veronesi , F. Bianco

Extended defects with one dimensionality smaller than that of the host, such as 2D grain boundaries in 3D materials or 1D grain boundaries in 2D materials, can be particularly damaging since they directly impede the transport of charge,…

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

Ion irradiation is a versatile tool for nanostructuring surfaces, yet the roles of energy deposition and dissipation at the surface and in ultrathin materials remain poorly understood. In this study, we investigate nanopore formation in…

Atomic vacancies, such as chalcogen vacancies in 2D TMDs, are important in changing the host material's electronic structure and transport properties. We present a straightforward one-step method for growing monolayer MoS2 utilizing…

Mesoscale and Nanoscale Physics · Physics 2024-05-28 Sudipta Majumder , Vaibhav Walve , Rahul Chand , Gokul M. A. , Sooyeon Hwang , G. V. Pavan Kumar , Aparna Deshpande , Atikur Rahman

Understanding the effect of electric fields on the physical and chemical properties of two-dimensional (2D) nanostructures is instrumental in the design of novel electronic and optoelectronic devices. Several of those properties are…

Mesoscale and Nanoscale Physics · Physics 2014-08-19 Elton J. G. Santos

The extreme sensitivity of 2D materials to defects and nanostructure requires precise imaging techniques to verify presence of desirable and absence of undesirable features in the atomic geometry. Helium-ion beams have emerged as a…

Materials Science · Physics 2022-05-19 Alina Kononov , Alexandra Olmstead , Andrew D. Baczewski , Andre Schleife

Monolayer molybdenum disulfide ($\mathrm{MoS_2}$) under strain has many interesting properties and possible applications in technology. A recent experimental study examined the effect of strain on the bandgap of monolayer $\mathrm{MoS_2}$…

Materials Science · Physics 2024-11-18 Raj K. Sah , Hong Tang , Chandra Shahi , Adrienn Ruzsinszky , John P. Perdew

Defects usually play an important role in tuning and modifying various properties of semiconducting or insulating materials. Therefore we study the impact of point and line defects on the electronic structure and optical properties of MoS2…

Mesoscale and Nanoscale Physics · Physics 2017-04-26 Jens Kunstmann , Tsegabirhan B. Wendumu , Gotthard Seifert

Using molecular dynamic simulations we show that single-layers of molybdenum disulfide (MoS$_2$) and graphene can effectively reject ions and allow high water permeability. Solutions of water and three cations with different valence…

Soft Condensed Matter · Physics 2018-03-14 Mateus Henrique Köhler , José Rafael Bordin , Marcia C. Barbosa

Molybdenum disulfide (MoS$_2$) nanoribbons have attracted increased interest due to their properties which can be tailored by tuning their dimensions. Herein, we demonstrate the growth of highly crystalline quasi-one-dimensional (1D)MoS$_2$…

Crystallographic defects play a key role in determining the properties of crystalline materials. The new class of two-dimensional materials, foremost graphene, have enabled atomically resolved studies of defects, such as vacancies, grain…

Materials Science · Physics 2015-06-22 Ossi Lehtinen , Nilesh Vats , Gerardo Algara-Siller , Pia Knyrim , Ute Kaiser

Laser direct writing is an attractive method for patterning 2D materials without contamination. Literature shows that the femtosecond ablation threshold of graphene across substrates varies by an order of magnitude. Some attribute it to the…

We measure the two-dimensional elastic modulus $E^\text{2D}$ of atomically clean defect-engineered graphene with a known defect distribution and density in correlated ultra-high vacuum experiments. The vacancies are introduced via…

Monolayer Molybdenum Disulfide (MoS2) with a direct band gap of 1.8 eV is a promising two-dimensional material with a potential to surpass graphene in next generation nanoelectronic applications. In this letter, we synthesize monolayer MoS2…

Mesoscale and Nanoscale Physics · Physics 2013-06-18 Han Liu , Mengwei Si , Sina Najmaei , Adam T. Neal , Yuchen Du , Pulickel M. Ajayan , Jun Lou , Peide D. Ye