Journal ArticleDOI
A review on thermo-mechanical properties of bi-crystalline and polycrystalline 2D nanomaterials
Bharat Sharma,Avinash Parashar +1 more
TLDR
Graphene and h-BN nanosheets are emerging as a potential candidate for wide spectrum of applications in the field of engineering and bio-medical science as mentioned in this paper, however, their performance has not yet been evaluated.Abstract:
Due to outstanding properties, graphene and h-BN nanosheets are emerging as a potential candidate for wide spectrum of applications in the field of engineering and bio-medical science. Graphene and...read more
Citations
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Large-Scale Fabrication of Boron Nitride Nanosheets and Their Utilization in Polymeric Composites with Improved Thermal and Mechanical Properties
Journal ArticleDOI
Experimental and Computational Studies to Analyze the Effect of h-BN Nanosheets on Mechanical Behavior of h-BN/Polyethylene Nanocomposites
TL;DR: In this paper, experimental and classical mechanics-based approaches have been used to study the reinforcing capabilities of hexagonal boron nitride (h-BN) nanosheets for polyethylene (PE)-based nanocomposites.
Journal ArticleDOI
Low-dimensional boron nitride nanomaterials
LI Xiuling,WU Xiaojun +1 more
TL;DR: In this article, a review of theoretical studies on the BNNTs and BN sheets, including their electronic properties, chemical modification, defects, hydrogen storage, and super-architecture is presented.
Journal ArticleDOI
Fracture mechanics of polycrystalline beryllium oxide nanosheets: A theoretical basis
Maryam Zarghami Dehaghani,Azam Salmankhani,Amin Hamed Mashhadzadeh,Sajjad Habibzadeh,Otman Abida,Mohammad Reza Saeb +5 more
TL;DR: In this article, the effect of the number of grains (4, 9, 16, 25, and 36) and defects (typical cracks and circular notches with different lengths and dimeters) on the mechanical properties of square-shaped polycrystalline beryllium-oxide nanosheets with the length of 300 A (L) was analyzed.
Journal ArticleDOI
Atomistic simulations to study the effect of water molecules on the mechanical behavior of functionalized and non-functionalized boron nitride nanosheets
Bharat Sharma,Avinash Parashar +1 more
TL;DR: In this paper, structural stability and mechanical behaviour of dry and water submerged boron nitride nanosheets were investigated with the help of molecular dynamics (MD) based simulations.
References
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Journal ArticleDOI
Electric Field Effect in Atomically Thin Carbon Films
Kostya S. Novoselov,Andre K. Geim,Sergey V. Morozov,Da Jiang,Y. Zhang,S. V. Dubonos,Irina V. Grigorieva,A. A. Firsov +7 more
TL;DR: Monocrystalline graphitic films are found to be a two-dimensional semimetal with a tiny overlap between valence and conductance bands and they exhibit a strong ambipolar electric field effect.
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Self-Consistent Equations Including Exchange and Correlation Effects
Walter Kohn,L. J. Sham +1 more
TL;DR: In this paper, the Hartree and Hartree-Fock equations are applied to a uniform electron gas, where the exchange and correlation portions of the chemical potential of the gas are used as additional effective potentials.
Journal ArticleDOI
The rise of graphene
TL;DR: Owing to its unusual electronic spectrum, graphene has led to the emergence of a new paradigm of 'relativistic' condensed-matter physics, where quantum relativistic phenomena can now be mimicked and tested in table-top experiments.
Journal ArticleDOI
Development and testing of a general amber force field.
TL;DR: A general Amber force field for organic molecules is described, designed to be compatible with existing Amber force fields for proteins and nucleic acids, and has parameters for most organic and pharmaceutical molecules that are composed of H, C, N, O, S, P, and halogens.
Journal ArticleDOI
Electronics and optoelectronics of two-dimensional transition metal dichalcogenides.
TL;DR: This work reviews the historical development of Transition metal dichalcogenides, methods for preparing atomically thin layers, their electronic and optical properties, and prospects for future advances in electronics and optoelectronics.