نتایج جستجو برای: boron nitride fullerene
تعداد نتایج: 33220 فیلتر نتایج به سال:
The study of hexagonal boron nitride (hBN) in microfluidic and nanofluidic applications at the atomic level requires accurate force field parameters to describe the water-hBN interaction. In this work, we begin with benchmark quality first principles quantum Monte Carlo calculations on the interaction energy between water and hBN, which are used to validate random phase approximation (RPA) calc...
We studied the energetics and electronic structure of hexagonal boron nitride (h-BN) nanoribbons with hydrogenated and clean edges with respect to the detailed edge shapes using density functional theory. Our calculations showed that the stability of h-BN edges strongly depends on the edge termination. In the case of hydrogenated edges, the formation energy is constant for all edge angles rangi...
The interlayer sliding energy landscape of hexagonal boron nitride (h-BN) is investigated via a van der Waals corrected density functional theory approach. It is found that the main role of the van der Waals forces is to anchor the layers at a fixed distance, whereas the electrostatic forces dictate the optimal stacking mode and the interlayer sliding energy. A nearly free-sliding path is ident...
Recent progress in preparing well-controlled two-dimensional van der Waals heterojunctions has opened up a new frontier in materials physics. Here we address the intriguing energy gaps that are sometimes observed when a graphene sheet is placed on a hexagonal boron nitride substrate, demonstrating that they are produced by an interesting interplay between structural and electronic properties, i...
Abstract In this paper, we review recent research developments regarding the tribological performances of a series inorganic nano-additives in lubricating fluids. First, examine several basic types nanomaterials, including metallic nanoparticles, metal oxides, carbon and “other” nanomaterials. More specifically, nanoparticles include silver, copper, nickel, molybdenum, tungsten nanoparticles; o...
focus of fundamental and applied materials research since the first preparation of macroscopic C60 quantities by Krätschmer et al. in 1990 [1]. The ability to encage atoms and small molecules opened the door to new structures which are highly reactive under standard conditions. Up to now low production yields and a time consuming multi stage separation hampered the search for applications of en...
Organic thin-film transistors (OTFTs) with high mobility and low contact resistance have been actively pursued as building blocks for low-cost organic electronics. In conventional solution-processed or vacuum-deposited OTFTs, due to interfacial defects and traps, the organic film has to reach a certain thickness for efficient charge transport. Using an ultimate monolayer of 2,7-dioctyl[1]benzot...
: A novel crystalline structure of hybrid monolayer hexagonal boron nitride (BN) and graphene is predicted by means of the first-principles calculations. This material can be derived via boron or nitrogen atoms which are substituted by carbon atoms evenly in the graphitic BN with vacancies. The corresponding structure is constructed from a BN hexagonal ring linking an additional carbon atom. Th...
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