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Electronic properties

Tìm thấy 13+ kết quả cho từ khóa "Electronic properties"

Theoretical prediction of the structural and electronic properties of a single layer graphene-like two-dimensional janus Janus GaInSTe

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What is more, the performances of electronic devices depend mainly on the properties of the material, which can be adjusted by several external conditions, such as strain engineering, doping, and external electric field. Recently, the external electric field is devoted to being one of the most common strategies for modifying the electronic properties of materials. Therefore, we further consider the effect of the external electric field on electronic properties of Janus GaInSTe monolayer.

First-principles Calculations on Electronic Properties of LaNiO3 in Solid Oxide Fuel Cell Cathodes

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First-principles Calculations on Electronic Properties of LaNiO 3 in Solid Oxide Fuel Cell Cathodes. Abstract: First-principles calculations based on the density functional theory are used to study the electronic structure of LaNiO 3 perovskite for application of cathode material in solid oxide fuel cell. For 1x1x1 LaNiO 3 unit cell, increasing in-plane strain leads to the increase in the density of states (DOS) at the Fermi level.

Comparative study on the effect of precursors on the morphology and electronic properties of CdS nanoparticles

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Comparative study on the effect of precursors on the morphology and electronic properties of CdS nanoparticles. Cadmium sulfide (CdS) is one of the most studied semiconductors with a direct band gap of 2.42 eV. The thermolysis of complexes as molecular precursors in hot solvents makes it one of the main route to prepare high quality CdS nanocrystals.

Density functional theory-supported studies of structural and electronic properties of substituted-phenol derivatives synthesized by efficient O- or C-arylation via Chan–Lam or Suzuki cross-coupling reactions

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Abstract: The present study reports the efficient synthesis and computational studies of the structural and electronic properties of some interesting substituted phenol derivatives. Density functional theory calculations provided insight into the structural and electronic properties of the synthesized compounds.

Synthesis and antioxidant, aggregation, and electronic properties of 6-tert-butyl-1,4-benzodioxine substituted phthalocyanines

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Electronic absorptions of phthalocyanine compounds 4–6 in THF are displayed in Figure 7.. The aggregation behavior of compound 5 in THF..

Effect of crosslinking patterns on the properties of conjugated microporous polymers

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POPs, the physical and electronic properties of which are affected by the reaction conditions. 21 For example, Yamamoto coupling is one of the earliest and most efficient methods in POP syntheses, which takes place between halogen functionalized monomers.

Design of novel substituted phthalocyanines; synthesis and fluorescence, DFT, photovoltaic properties

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Electronic absorption of compound 4 in different concentrations.. Electronic absorption of compound 4 in different solvents.. Optimized molecular structure of compound 4 at DFT/B3LYP/6-311G basis set.. Optimized molecular structure of compound 5 at DFT/B3LYP/6-311G basis set.. Some C atoms in the phthalocyanine nucleus are positive and others are negative.. The electronic properties of the optimized compounds 4, 5, and 6 were visualized using the GausView 6.0 program.

A combined first principles TDDFT and experimental study on the UV-Vis spectra properties of M(p-nitrophenyl azo resorcinol)3 complexes (M: Fe, Cr)

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Combining computational studies with experimental spectroscopic results helps us to achieve a deeper understanding of the electronic properties of transition metal complexes. TDDFT calculations show great promise for use in the study of relatively complex electronic absorption spectra of systems that exhibit multiple absorption bands.

Structural, surface morphological, optical and electrical properties of InxSey thin films, an absorber layer for photovoltaic cells fabricated by M-CBD method using different variables

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Investigation of the electronic properties of metal complex semiconductor schottky diodes

Diphenylethoxy-substituted metal-free and metallophthalocyanines as potential photosensitizer for photodynamic therapy: synthesis and photophysical and photochemical properties

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The effect that substituted Pcs have on the splitting of the Q band is highly influenced by the electronic properties of the substituent and the type of the central metal ion. The photophysicochemical properties of synthesized Pcs 2 and 3 were determined in DMF in this work. To conclude, photophysicochemical parameters of the Pcs studied together with their corresponding conjugates, especially complex 3, show these molecules to be potential PDT agents..

Theoretical investigation of the interaction between the metal phthalocyanine [MPc]a (M = Sc, Ti, and V; a = –1, 0, and +1) complexes and formaldehyde

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Modulation of the electronic properties of pristine and AlP-codoped stanene monolayers by the adsorption of CH2O and CH4 molecules: a DFT stud

Density functional study of the structure and water adsorption activity of an Al30O30 star-shaped alumina nanocage

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The structural and electronic properties of the SANC were analyzed and compared to the corresponding data for an alumina perfect nanocage and nanotube. In this study, the molecular structure and electronic properties of an Al 30 O 30 SANC were analyzed using CAM- B3LYP density functional combined with 6-31G** basis set for oxygen and LanL2DZ effective core potential basis set for aluminum.

Design, synthesis, and spasmolytic activity of thiophene-based derivatives via Suzuki cross-coupling reaction of 5-bromothiophene-2-carboxylic acid: Their structural and computational studies

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All of the compounds were also studied for their structural and electronic properties by density functional theory (DFT) calculations.. Through detailed insight into frontier molecular orbitals of the compounds and their different reactivity descriptors, it was found that the compounds 10c and 5c are the most reactive, while 10a is the most stable in the series. We also studied the structural and electronic properties of the synthesized derivatives using density functional theory (DFT).

Electronic structure and thermoelectric properties of Bi2Se3 under oxygen substitution

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By employing first-principles density functional theory within local density approximation and the solution of Boltzmann Transport Equation in relaxation time approximation, we studied the effect of O substitution on electronic structure and thermoeletric properties of Bi 2 Se 3 material in n-type doping. The calculated results show a strong dependence of the Seebeck coefficient, the electrical conductivity and the power factor on the temperature and the carrier concentration.

High-pressure effect of elastic and mechanical properties of hexagonal gallium nitride

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Pugh, Relation between the Elastic Moduli and the Plastic Properties of Polycrystalline Pure Metals, Phil.. 823–843, https://doi.org . 823–837, https://doi.org/10.1038/nmat3134.. Lai, First-Principles Studies of the Structural, Elastic, Electronic and Thermal properties of Ni 3 Si, Comp. 40-45, https://doi.org/10.1016/j.commatsci . 647, https://doi.org/10.1103/physrev.74.639.. Harrison, Electronic Structure and Properties of Solids, New York: Dover, 1989.

Solid: Mixed Ionic-Electronic Conductors

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In close ana- logy, the microstructural properties of the SOFC cathode layer have a significant impact on the transport properties of the cathode. A composite electrode consisting of a mixture of purely ion-conducting electrolyte material and purely electronic conducting cathode material may increase the cathode performance if, ideally, each of the compounds forms a continuous conducting network, in contact with each other.

Tuning the Electronic Structure of Si1-xGex Alloys

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In the systems, most physical properties of the indirect semiconductors are retained which are principally described by the ground states. An interesting property of Si 1−x Ge x alloys that is their electronic band structures are tunable between those of bulk Si and Ge. The conduction band minimum of Si shifts gently from a point along ΓX path to the L point with the increased Ge composition x.

Mechanical and Thermophysical Properties of Neptunium Monopnictides

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Sanyal, Structural phase transition and elastic properties of neptunium compounds at high pressure, Indian Journal of Pure and Applied Physics . Zwirne, Pressure effects on magnetism in the uranium and neptunium monopnictides, Journal of Alloys &. Rebizant, Electronic and elastic properties of the light actinide telluride, Physica B:. Natarajan, A computational study of structural transition in NpAs and NpTe induced by pressure, Journal of Alloys &.

Synthesis of new cyclotriphosphazene derivatives bearing Schiff bases and their thermal and absorbance properties

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After evaluation of the UV-Vis electronic absorption properties of cyclotriphosphazene derivatives (3a–. 3d) containing Schiff bases, the fluorescence properties of compounds 3a–3d were investigated at various concentrations between 10 − 5 and 10 − 6 M in 1,4-dioxane, THF, dichloromethane, and DMSO, which were excited between 250 and 350 nm. However, compounds 3a–3d showed no appreciable fluorescence properties in these conditions.

INTRODUCTION TO ELECTRONIC ENGINEERING- P4

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Except for early relatively inefficient electromechanical amplifiers, electronic amplifier development started with the invention of the vacuum tube.. Amplifiers are classified according to the polarity and properties of the output current or voltage.