Cerium oxide CeO2, or ceria, has gained increasing interest owing to its excellent catalytic applications. Under the framework of density functional theory (DFT), this contribution demonstrates the effect that introducing the element nickel (Ni) into the ceria lattice has on its electronic, structural, and optical characteristics. Electronic density of states (DOSs) analysis shows that Ni integration leads to a shrinkage of Ce 4f states and improvement of Ni 3d states in the bottom of the conduction band. Furthermore, the calculated optical absorption spectra of an Ni-doped CeO2 system shifts towards longer visible light and infrared regions. Results indicate that Ni-doping a CeO2 system would result in a decrease of the band gap. Finally, Mulliken's charge transfer of the Ce1−xNixO2 system exhibits an ionic bond between Ce or Ni and O, and covalent bonds between Ce and Ni atoms. The analysis of absorption spectra demonstrates that Ni-doped CeO2 is a material with potential use in photocatalytic, photovoltaic, and solar panels.
The research aims to evaluate Islamic electronic libraries and their service for downloading research and illustrated books, explaining their origins, features and types. The research was limited to the libraries available on the Internet that provide the service for downloading research and illustrated books. The researcher relied on the survey approach to identify the libraries and a sample of them (20 libraries) was selected. For the purpose of evaluating it according to five criteria related to the preparation and publication of Islamic electronic libraries (the responsible party, the goals and objectives, the year, the services it provides, the sections and subject specializations of its contents) and five criteria related to the servi
... Show MoreThe agent-based modeling is currently utilized extensively to analyze complex systems. It supported such growth, because it was able to convey distinct levels of interaction in a complex detailed environment. Meanwhile, agent-based models incline to be progressively complex. Thus, powerful modeling and simulation techniques are needed to address this rise in complexity. In recent years, a number of platforms for developing agent-based models have been developed. Actually, in most of the agents, often discrete representation of the environment, and one level of interaction are presented, where two or three are regarded hardly in various agent-based models. The key issue is that modellers work in these areas is not assisted by simulation plat
... Show MoreThe real and imaginary part of complex dielectric constant for InAs(001) by adsorption of oxsagen atoms has been calculated, using numerical analysis method (non-linear least square fitting). As a result a mathematical model built-up and the final result show a fairly good agreement with other genuine published works.
Bark fiber has high potential use for composite reinforcement in biocomposite material. The aim of this study is the mechanical properties of Bark fiber reinforced polester composite with varying fiber weight fraction (0% , 5% , 10% , 20%, 30% and 40%) hand lay-up technique which was used to prepare the composite , specimens for tensile , flexural and impact test according to the ASTM D638 , ASTMD790 , and Iso-179. The over all results showed that the composite is reinforced with Bark fiber at weight (10%) higher mechanical properties , and the composite showed improved mechanical (Flexural).
The thermal properties of four nematogenic Schiff’s bases, n-butyl-to-n-heptyl of bis (4-n-alkyloxybenzylidine)-2,3,5.6- tetramethyl-1, 4-phenylenediamine, have been studied. The transition temperatures and enthalpies of transition were examined by differential scanning calorimeter (DSC). Several correlations were carried out; those included the relations between transition temperatures, enthalpies and entropies of transition with increasing the
number of carbon atoms in the terminal alkyl chains. In addition, new regular relations were found between the ratio of the enthalpies and of the entropies, for noematic-isotropic transition and crystal-isotropic transition ( ΔΗÎ-i/AHC-I, ΔS
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The physical substance at high energy level with specific circumstances; tend to behave harsh and complicated, meanwhile, sustaining equilibrium or non-equilibrium thermodynamic of the system. Measurement of the temperature by ordinary techniques in these cases is not applicable at all. Likewise, there is a need to apply mathematical models in numerous critical applications to measure the temperature accurately at an atomic level of the matter. Those mathematical models follow statistical rules with different distribution approaches of quantities energy of the system. However, these approaches have functional effects at microscopic and macroscopic levels of that system. Therefore, this research study represents an innovative of a wi
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The study aims to display the scientific benefit offered by modern electronic programs for various scientific research methods, while determining the positive scientific role played by these programs in modernizing the methodologies and logic of scientific thinking, especially with the rapid development of the sciences and their curricula.
These programs link accurately with scientific results. The importance of the study is to provide practical mechanisms to highlight the scientific projection of the electronic programs in various steps of scientific research.
A case study was used for Tropes version 8.4, which analyzes written, audio and visual semantic texts and presents a set of statistical results that facilitate the difficult