Results 81 to 90 of about 2,766 (188)
ChemPhysChem, Volume 25, Issue 11, June 3, 2024.Density functional theory predicts that functionalizing hexagonal boron nitride, a large‐gap semiconductor, with methyl groups, for instance by photochemical reaction with methyl chloride, allows to control the optoelectronic properties of material. Different positions and degrees of methylation are considered, revealing a reduction in the band gap for
Elham Mazarei, Peter Saalfrank
wiley +1 more source
A stable path to ferromagnetic hydrogenated graphene growth [PDF]
, 2014 In this paper, we propose a practical way to stabilize half-hydrogenated graphene (graphone). We show that the dipole moments induced by an hexagonal-boron nitride (h-BN) substrate on graphene stabilize the hydrogen atoms on one sublattice of the ...
Abanov, Artem +4 more
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IET Nanodielectrics, Volume 7, Issue 2, Page 47-58, June 2024.This work aims to provide a detailed analysis of the structure‐property relationships inherent in FG, including both chemical and physical properties, and to explain the FG manufacturing process. Special attention should be paid to a thorough analysis of the thermodynamic conduction mechanism exhibited by FG, including the effects of corrugation size ...
Xin Wang +4 more
wiley +1 more source
A Review of Current Development of Graphene Mechanics
Crystals, 2018 Graphene, a two-dimensional carbon in honeycomb crystal with single-atom thickness, possesses extraordinary properties and fascinating applications. Graphene mechanics is very important, as it relates to the integrity and various nanomechanical behaviors
Qiang Cao +6 more
doaj +1 more source
A Systematic Study of Electronic Structure from Graphene to Graphane
, 2010 While graphene is a semi-metal, a recently synthesized hydrogenated graphene called graphane, is an insulator. We have probed the transformation of graphene upon hydrogenation to graphane within the framework of density functional theory.
Chandrachud, Prachi +4 more
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Magnetic properties in graphene-graphane superlattices [PDF]
Applied Physics Letters, 2010 The magnetic properties of graphene-graphane superlattices with zigzag interfaces and separately varying widths are investigated by first-principles density functional calculations. It is demonstrated that magnetic states are energetically more stable than nonmagnetic ones due to the Stoner-type instability, and that antiferromagnetic spin ...
Lee, Joo-Hyoung, Grossman, Jeffrey C.
openaire +2 more sources
Van der Waals Heterostructures for Photoelectric, Memory, and Neural Network Applications
Small Science, Volume 4, Issue 4, April 2024.This article comprehensively summarizes the low‐dimensional material heterostructures from the aspects of production methods, physical properties, and applications and reviews the application of 2D/nD (n = 0, 1, 2, 3) heterostructures in photoelectricity, memory, and neural network.
Hang Xu +9 more
wiley +1 more source
, 2019 We calculate the phonon-dispersion relations of several two-dimensional materials and diamond using the density-functional based tight-binding approach (DFTB).
Allaei, S. Mehdi Vaez +3 more
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Advanced Materials, Volume 36, Issue 8, February 22, 2024.Molecular engineering of stimuli‐responsive inorganic 2D materials (i2DMs) is showcased by covalently bonding ad hoc active molecular components in i2DMs. Selected examples of their implementation as molecular switches triggered by different inputs provide insight into their suitability for the development of a new generation of post‐Moore ...
Jose Muñoz
wiley +1 more source
Nanotechnology, Science and Applications, 2014 Qing Peng,1 Albert K Dearden,2 Jared Crean,1 Liang Han,1 Sheng Liu,3 Xiaodong Wen,4,5 Suvranu De11Department of Mechanical, Aerospace and Nuclear Engineering, Rensselaer Polytechnic Institute, Troy, NY, USA; 2Department of Physics, Applied Physics, and ...
Peng Q +6 more
doaj