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Online since: March 2021
Authors: Bouchaib Zazoum, Abdel Bachri
The main components of DNN structure are inputs, weights, hidden layers, addition function, activation function, and the outputs, as shown in figure 2.
The structure of DNN to predict the relative dielectric permittivity of PVDF/BT nanocomposites.
Luo et al., "Ultra-high discharged energy density capacitor using high aspect ratio Na 0.5 Bi 0.5 TiO3 nanofibers," Journal of Materials Chemistry A, vol. 5, no. 15, pp. 7091-7102, 2017
Gupta, "Significantly Enhanced Energy Density by Tailoring the Interface in Hierarchically Structured TiO2–BaTiO3–TiO2 Nanofillers in PVDF-Based Thin-Film Polymer Nanocomposites," ACS applied materials & interfaces, vol. 11, no. 15, pp. 14329-14339, 2019
Luo et al., "Core–Shell Nanostructure Design in Polymer Nanocomposite Capacitors for Energy Storage Applications," ACS Sustainable Chemistry & Engineering, vol. 7, no. 3, pp. 3145-3153, 2018
Online since: July 2012
Authors: Chang Ying Yang, Liang Rong Zhao, Rong Rong Zhang, Shuang Mei Gong, Xiao Bo Li
The Theory Investigation of the Effect of Substitutions of –CF3 on the Properties of Ru Complex with Phenanthroline Liangrong Zhao, Rongrong Zhang, Shuangmei Gong, Xiaobo Li, Changying Yang* College of Chemistry and Life Science, Three Gorges University, Yichang 443002, PR China E-mail: yangcy12@gmail.com Key words: Ru complex; -CF3; Calculation; Ionization potential (IP); Reorganization energies (λ) Abstract: The Ru(phen)32+ complex forms a regular octahedron and the Ru(phen)3 unit is a nearly regular trigonal pyramid with ~90° angles.
Computational details All electronic structure and thermochemical analyses were performed on BioX@CTGU Computer Cluster using the quantum chemistry software package GAMESS PC-based platform [5].
Optimization of oxidized geometry [Ru(L)3]3+ was beginning with the optimized structure of [Ru(L)3]2+ forms, change the charge from +2 to +3 and treat as a doublet ground electronic state.
The optimized bond lengths and bond angles are in general agreement with the related calculation results in literatures [12] and some experimental crystal structures data. [4] The Ru(phen)32+ complex forms a regular octahedron and the Re(phen)3 unit is a nearly regular trigonal pyramid with ~90° angles lengths between Ru and six nitrogen atoms showed slightly different, and rather insensitive to –CF3 group substituted, as well as the oxidation.
Conclusions Some important parameters of complexes [Ru(phen)3]2+, such as the HOMO and LUMO energies, energy gap (Eg), ionization potential (IP), and reorganization energy (λ) were obtained from DFT calculations, for the investigation of effect of substitution of -CF3 group in phen ligand on the structures and properties of complex.
Online since: December 2003
Authors: José Maria F. Ferreira, Wen Jian Weng, Gao Rong Han, Pi Yi Du, Ge Shen, Kui Cheng
Some detailed information on the structure of the apatite phases was given by the FTIR results in Fig. 3.
The results showed typical apatite spectra except that the librational band of OH in HA phase located at 630cm -1 was totally missing, which indicated that the amount of OH in apatite structure was reduced.
The disappearance of 630cm-1 band indicates the length of OH chain in the FHA structural is reduced, implying that the FHA phase synthesized in this work has pretty good fluorine distribution uniformity as a solid solution because the existence of librational band of OH is related to the length of OH chain in the apatite structure [9].
Elliott: Studies in Inorganic Chemistry 18 : Structure and Chemistry of the Apatites and Other Cacium Orthophosphates ( Elsevier, Amosterdam, 1994)
Online since: December 2012
Authors: Kun Shi
In modern society with more refined and developed industrial structure, economic capacity and overall strength dominated a city's life.
Industrial Structure.
It shows the evolution of city system structure.
Mileusnic, The Chemistry of Life, Penguin Press Science, 1999
Castellion, The world of chemistry: essentials, Thomson Higher Education, Belmont, 2007.
Online since: August 2014
Authors: Zhuang Kun Wang
In this paper, the research takes vanadium series SCR catalysts as the object to study the regeneration technology of catalyst, new physical structure recovery method, and effect of regeneration process in the treatment on the performance of catalyst.
From China's energy consumption structure for more than 30 years we see that the proportion of coal in primary energy consumption structure has been as high as 70%.
Report points out, by 2050, the coal in primary energy consumption structure in China will account for 50%.
It is visible in the present and the future for a long time, our country will keeping giving priority to coal energy consumption structure and this will change fundamentally.
The effect of new type of catalyst regeneration parameters on catalyst pore structure, crystal morphology, surface morphology and compressive properties, and the activity are studied in the paper by means of catalyst performance testing means.
Online since: March 2006
Authors: Yoo Young Kim, Kwon Koo Cho, Jong Uk Kim, Ki Won Kim, Jong Keun Ha
Structure and Electrochemical Properties of FeSx Nanoparticles Synthesized by Chemical Vapor Condensation Process Jong-Keun Ha1,a, Kwon-Koo Cho1,b, Ki-Won Kim 1,c , Jong-Uk Kim 2,d, Yoo-Young Kim 3,e 1 Information Technology Research Center for Energy Storage and Conversion, Gyeongsang National University, Gazwadong 900, Jinju, Gyeongnam, 660-701, Korea 2 Korea Association of Aid to Navigation, 9-17, Pyongteak, Korea 3 Dept. of Mechanical Engineering, Jinju National University, Jinju, Korea a hikn@hikn.com, bkkcho66@gsnu.ac.kr, ckiwonkim@gsnu.ac.kr, djukim@kaan.or.kr, eyoung@jinju.ac.kr Keywords: Metal sulfide, Chemical Vapor Condensation (CVC) Process, Nanoparticles, FeSx electrode Abstract.
Chemistry synthesis of nanoparticles is a rapidly growing field with a great potential in making useful materials.
The crystalline structure and composition of the particles were analyzed with X-ray diffraction (XRD).
In order to investigate the crystalline structure of particle, XRD analysis was carried out for three particles.
Even thought 30 % carbon black and 20% PVDF binder are mixed with the particles, very fine structure is still maintained after the fabrication of electrode.
Online since: July 2014
Authors: Abdel Hamid I. Mourad, Mohammad Sayem Mozumder, Jesse Zhu, Hiran Perinpanayagam
Structures with nanometer diameters have attracted great attention due to their promising applications in electrical, optical, magnetic, and medical fields [30].
The surface structure of materials influences the response of the cells and the development of the inter-connective tissue which forms in between the implant and the host body.
Effects of synthetic micro- and nano-structured surfaces on cell behavior, Biomaterials 20 (1999) 573-88
Brennan, Systematic variation of microtopography, surface chemistry and elastic modulus and the state dependent effect on endothelial cell alignment, J.
Nicholson, The Chemistry of Polymers (4, Revised ed.), Royal Society of Chemistry. p. 50. 2011
Online since: February 2011
Authors: Song Hua Gao, Li Hua Gao, Ke Sheng Zhou
XRD patterns of Ni2+ doped TiO2 powder which the molar concentration of nickel ions is 2.0%, also shows that the structure is still anatase phase in Fig. 1.
Fig. 2 (a) shows the AFM three-dimensional photo of pure TiO2 thin film, the surface is smooth, but there are large island structure particles.
According to the electronic structure of nickel ions, electrons can easily and deeply captured by the doped nickel ions, however, they not only separate efficiently the light-generated electron-hole pairs, but also become recombination center of them.
Ibrahem: Journal of Photochemistry and Photobiology A: Chemistry Vol. 189 (2007), p. 80 [5] T.
Watanabe: Chemistry of Materials Vol. 12 (2000), p. 3 [15] W.
Online since: September 2013
Authors: Xiao Yan Jing, Jun Wang, Song Nan Li, Jing Yuan Liu, Saba Jamil
The magnetic nanoparticles should also have high magnetic moment, and can be improved via surface chemistry reactions so that they are proficient of binding precisely to the biomolecules of interest and able to hold out numerous physiological conditions[12].
The formation mechanism and surface chemistry are also being discussed in the results and discussion section of this article. 2.
Structure Characterization.
The X-ray powder diffraction patterns in Fig. 1 show the cubic crystalline structure and layered structure of the precursor.
Online since: October 2011
Authors: A.Ansari Hamedani, F. Moztarzadeh, D. Bizari, Maziar Ashuri, M. Tahriri
In our work the dried gels were milled to decrease the diffusion distances for Ca, Mg and Zn, when they are subsequently being incorporated in the glass structure in the stabilizing step, and hereby having more homogeneous powders at lower stabilizing temperatures.
Schematic illustration of evolution of calcium distribution after the drying stage [11] – Reproduced by permission of The Royal Society of Chemistry.
Acknowledgements The authors wish to thank the Royal Society of Chemistry for granting permission to reproduce Fig.1.
Brauer et. al., Fluoride-containing bioactive glasses: Effect of glass design and structure on degradation, pH and apatite formation in simulated body fluid, Acta.
Watts et. al., Influence of magnesia on the structure and properties of bioactive glasses.