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Toplam kayıt 6, listelenen: 1-6
Determination of Dynamically Stable Electrenes toward Ultrafast Charging Battery Applications
(American Chemical Society, 2018)
Electrenes, an atomically thin form of layered electrides, are very recent members of the 2D materials family. In this work, we employed first principle calculations to determine stable, exfoliatable, and application-promising ...
A distinct correlation between the vibrational and thermal transport properties of group VA monolayer crystals
(Royal Soc Chemistry, 2018)
The investigation of thermal transport properties of novel two-dimensional materials is crucially important in order to assess their potential to be used in future technological applications, such as thermoelectric power ...
On the limitations of the DFT plus U approach to energetics of actinides
(Elsevier Science BV, 2012)
Scalar-relativistic density functional theory calculations are performed on three phases of Np within the framework of LSDA+U approach. Material properties examined include lattice parameters, atomic volumes, bulk modulus, ...
Thermal conductivity of BN-C nanostructures
(Amer Physical Soc, 2012)
Chemical and structural diversity present in hexagonal boron nitride (h-BN) and graphene hybrid nanostructures provide avenues for tuning various properties for their technological applications. In this paper we investigate ...
A bottom-up route to enhance thermoelectric figures of merit in graphene nanoribbons
(Nature Publishing Group, 2013)
We propose a hybrid nano-structuring scheme for tailoring thermal and thermoelectric transport properties of graphene nanoribbons. Geometrical structuring and isotope cluster engineering are the elements that constitute ...
Influence of disorder on thermal transport properties of boron nitride nanostructures
(Amer Physical Soc, 2012)
The impact of isotopes on thermal transport in boron nitride nanotubes (BNNTs) and boron nitride white graphene is systematically studied via molecular dynamic simulations. By varying the concentration of the B-10 isotope ...