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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 ... -
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 ... -
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 ... -
Efficient expression of codon-adapted affinity tagged super folder green fluorescent protein for synchronous protein localization and affinity purification studies in Tetrahymena thermophila
(Biomed Central LTD, 2015)Background: A superior Green Fluorescent Protein (GFP) mutant, known as superfolder GFP (sfGFP), is more soluble, faster folding, and is the brightest of the known GFP mutants. This study aimed to create a codon-adapted ... -
Influence of the growth conditions on the optical and structural properties of self-assembled InAs/GaAs quantum dots for low As/In ratio
(Elsevier Science BV, 2017)We report on the growth and characterization of self-assembled InAs/GaAs quantum dots (QDs). The influence of the systematically changed growth conditions on the opto-electronic and structural properties of the QDs were ... -
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 ...