Materials Literature
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The safety issues connected to storage and transportation of ammonium nitrate and ammonium nitrate emulsions are to be considered of primary importance, as demonstrated by the Tolouse explosion and various handling and storage accidents in different countries. This paper is focused on the assessment of the self-heatin…
We have developed an approach to duplicate the structure of a natural cellulose substance (commercial laboratory filter paper) with titanium metal. A nanometer precise anatase titania replica of filter paper was converted into alpha phase (hcp) titanium by a calciothermic reduction process using calcium chloride as a…
A series of aromatic-ring-layered polymers were synthesized by the polymer reaction using a terphenylene-layered polymer as a scaffold. FT-IR spectra of the resulting polymers revealed that aromatic rings were quantitatively introduced into the terphenylene-layered polymer backbone. UV-vis absorption spectra exhibited…
We present a first-principles modeling study of a new class of nanomaterials in which buckminsterfullerene (C60) and graphene (G) are bridged by Cr via coordination bonds. Two nanostructures denoted as G(C54)-Cr-C60 and G(C150)-Cr-C60 are investigated, which share many similarities in the configuration geometries but…
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With computer simulations of the hard sphere model, we examine in detail the microscopic pathway connecting the metastable melt to the emergence of crystalline clusters. In particular we will show that the nucleation of the solid phase does not follow a two-step mechanism, where crystals form inside dense precursor re…
New procedures for modeling interactions among dislocations and nanosized cracks within the dynamically evolving bridging domain method (DEBDM) have been developed. The DEBDM is an efficient concurrent atomistic-to-continuum approach based on the bridging domain method, where the atomic domain dynamically adapts to en…
We investigate bio-inspired plasmonic sensors based on the interactions between Ag nanoparticles and diatom biosilica. The strongly coupled optical resonances lead to 2× higher optical extinction and 4~6× improvement of sensitivity in surface-enhanced Raman scattering.
The past few years have been very eventful with respect to the evolution of the concept and implementation of “left-handed materials (LHMs)”. This paper elucidates antenna parameter optimization using 2 Segment Labyrinth metamaterial embedded in antenna substrate at high frequency (THz). Ansoft HFSS has been used to d…
Study of the dynamics of H2CO confined within graphene sheets and sensing of H2CO by graphene require an analytic representation of the intermolecular potential between H2CO and graphene. To develop an intermolecular potential for H2CO interacting with graphene, ab initio calculations were performed at the MP2/MG3S, B…
Finite element model (FEM) was used for the study and description of the arising 3D nanofiber structure strain caused by the pressure of the flowing gas. Computer simulation using an adaptive networking through implicit FEM algorithm can be utilized for a significant improvement of the study of anisotropic strain in t…
Evaluation of Experimental Design Options in Environmental Nano-Science Research As an experimental research design plays a pivotal role in executing a research problem, it is imperative of a researcher to develop a suitable and sound research design. Utilizing robust statistical methods can further enhance the study…
Using ionic liquid (IL) [Bmim]Br (Bmim=1-butyl-3-methylimidazolium) as solvent has resulted in a polyoxometalate-based metal-organic framework (PMOFs), [CuIBbi]4SiW12O40·H2O (1) [Bbi=1,1-(1,4-butanediyl)-bis(imidazole)], and was produced via an ionothermal route. Its structure was determined by single-crystal X-ray di…
Acid-catalytic 1,3-butadiene condensation with para-quinones followed by the obtained product oxidation may be performed in one stage as one-pot process, if assisted by the aqueous solutions of Mo-V-P heteropoly acids with a composition of HaPzMoyVxOb. 1,4-naphthoquinone condensation with 1,3-butadiene in the HPA solu…
The partial dynamic structure factors Sξη(k,ω) in molten RbAg4I5 have been obtained by molecular dynamics simulation (MD) using the pair potentials including the effect of polarizability of ions. From the obtained Sξη(k,ω), the longitudinal acoustic (LA), the longitudinal optical (LO), and the transverse acoustic (TA)…
Cd1−xZnxSe1−ySy alloyed NCs were functionalized with 8-hydroxyquinoline and its derivatives by a ligand exchange process. The efficient white light emitting NCs can be obtained by adjusting the ratio of blue-light ligand (ND) to NCs. The charge transfer process was observed in the functionalized NCs systems.
Received: 16 Aug. 2011 Accepted: 19 May 2012 Published online:14 July 2012 ZnO nanorods array films were coated on a glass template through a two-step chemical process. First, a sol-gel spin coating method was used to produce a ZnO seed layer and after that, the ZnO nanorods arrays were grown on it through a low tempe…
The onion-like carbon composites prepared according to different technologies were studied by means of broadband dielectric/electric spectroscopy in a wide temperature range from 300 to 450 K. The value of complex dielectric permittivity of composites strongly increases after annealing. From complex dielectric spectra…
The problem of the equal-rate mechanochemical wear of an elastic-perfectly plastic thick-walled spherical shell under internal and external pressure is solved analytically. The proposed solution allows to assess the time of the initial yielding at the bore of the shell and the time of fully plastic yielding. The obtai…
二硫化钼(MoS2)是已知的二维半导体材料中光电性能最优秀的材料之一. 单原子层厚的MoS2是禁带宽度为1.8 eV 的二维直接带隙半导体材料, 可以用来发展新型的纳米电子器件和光电功能器件. 本论文利用玻尔兹曼平衡方程输运理论研究低温时MoS2系统的电输运性质, 计算得到了MoS2电子迁移率的解析表达式. 研究发现, 低温时MoS2 的迁移率与衬底材料的介电常数的平方成正比; 与系统的电子浓度对带电杂质的浓度的比率ne/ni 成线性关系. 因此, 选用介电常数高的衬底材料, 适当提高MoS2系统的载流子浓度, 同时降低杂质的浓度, 可以有效提高MoS2系统的迁移率. 研究结果为探索以MoS2为基础的新型纳米光电器件的研究和实际应…