Başlık için Elektrik ve Enerji Bölümü listeleme
Toplam kayıt 49, listelenen: 1-20
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An ab initio Study of Cr and Mn Doped MAX Phase TiMSiB
(Institute of Electrical and Electronics Engineers Inc., 2019)MAX phases, which are widely studied experimentally and theoretically, have general formula of M(n1)AXn, where M is transition metals, A is A group element and X is C and N. In this study, the structural, mechanical and ... -
An ab initio study on the investigation of structural, electronic, mechanical and lattice dynamical properties of the M(2)AX type MAX phases Sc2AlB0.5C0.5, Sc2AlB0.5N0.5 and Sc2AlC0.5N0.5 compounds
(IOP PUBLISHING LTD, 2017)The hypothetical Sc2AlB0.5C0.5, Sc2AlB0.5N0.5 and Sc2AlC0.5N0.5 compounds are M(2)AX type MAX phases referred to as #211 and have hexagonal crystal structure which conforms to P6(3)/mmc space group. These compounds have ... -
Anisotropic elastic and vibrational properties of Ru2B3 and Os2B3: a first-principles investigation
(IOP PUBLISHING LTD, 2016)The structural, mechanical and lattice dynamical properties of Ru2B3 and Os2B3 have been investigated by using a first-principles method based on the density functional theory within the generalized gradient approximation. ... -
Anisotropic mechanical properties of Tl4Ag18Te11 compound with low thermal conductivity
(Academic Press Inc., 2020)The anisotropic mechanical properties of Tl4Ag18Te11 compound was investigated elaborately for the first time by using Density Functional Theory calculations with the Vienna Ab-initio Simulation Package in this work. ... -
Density functional theory (DFT) study of BaScO3H0.5 compound and its hydrogen storage properties
(CANADIAN SCIENCE PUBLISHING, 2019)BaScO3 and its hydride BaScO3H0.5 have been investigated using density functional theory (DFT) with the generalized gradient approximation (GGA). BaScO3 perovskite can crystallize in five possible crystal structures: ... -
DFT-based ab-initio study of half-Heusler KCaP compound
(NATL INST OPTOELECTRONICS, 2018)An ab-initio study of structural, elastic, electronic and optical properties of KCaP compound with space group F (4) over bar 3m have been reported using the plane-wave pseudo-potential technique based on density functional ... -
Effect of Hydrogen Doping to MgTiH3 Perovskite Type Hydride to Enhance Hydrogen Storage Properties
(Institute of Electrical and Electronics Engineers Inc., 2019)MgTiH3 perovskite type hydride has been investigated for the hydrogen doping effect using the first principles calculation with the Vienna Ab-initio Simulation Package. The hydrogen doping positions have been determined ... -
The effect of hydrogen on the electronic, mechanical and phonon properties of LaMgNi4 and its hydrides for hydrogen storage applications
(PERGAMON-ELSEVIER SCIENCE LTD, 2018)Density functional theory calculations are used herein to explore the effect of hydrogen on the electronic, mechanical and phonon properties of LaMgNi4 and its hydrides. The polycrystalline elastic moduli, Poisson's ratios ... -
The effect of periodic magnetic force on a piezoelectric energy harvester
(ELSEVIER SCIENCE SA, 2013)The response of a piezoelectric (PZT) harvester in pendulum shape is explored under a periodic magnetic field both theoretically and experimentally. The magnetic force F-m is found via fitting to a polynomial function ... -
The electronic and elasticity properties of new half-metallic chalcogenides Cu(3)TMCh(4) (TM = Cr, Fe and Ch = S, Se, Te): an ab initio study
(TAYLOR & FRANCIS LTD, 2019)The ternary copper-based chalcogenides Cu(3)TMCh(4) (TM = Cr, Fe and Ch = S, Se, Te), which have simple cubic (SC) crystal structure and conform to space group with 215 space number, have been investigated by spin-polarised ... -
Electronic and lattice dynamical properties of Ti2SiB MAX phase
(IOP PUBLISHING LTD, 2018)The structural, electronic, mechanic, vibrational and thermodynamic properties of Ti2SiB which is a hypothetical MAX phase compound, have been investigated using density functional theory calculations. The structural ... -
Electronic and thermodynamic properties of lanthanum tetraboride on low-temperature experimental and ab-initio calculation data
(Elsevier Ltd, 2021)The characteristics of the electronic and phonon subsystems of lanthanum tetraboride (LaB4) studied using first-principles calculations. The calculated lattice parameters, as well as the positions of atomic, are satisfactorily ... -
Electronic, Optical And Thermodynamic Characteristics Of Bi12SiO20 Sillenite: First Principle Calculations
(Elsevier Ltd, 2021)Bi12XO20 (X: Si, Ge, Ti) ternary semiconducting compounds are known as sillenites and take a remarkable attention thanks to their attractive photorefractive properties. The present paper reports electronic, optical and ... -
Energy, exergy and economic (3E) evaluation of the photovoltaic/thermal collector-assisted heat pump domestic water heating system for different climatic regions in Turkey
(SPRINGER, MAR 2021)In this study, the energy, exergy and economic (3E) analyses were performed for the photovoltaic/thermal collector-assisted heat pump domestic water heating system under two different climatic regions (Hakkari and Trabzon) ... -
Enhancement in Photovoltaic Characteristics of CdS/CdTe Heterojunction
(GAZI UNIV, 2017)The polycrystalline p-type CdTe thin film was deposited to form a solar cell structure with n-type CdS thin film window layer. Material characterization of the deposited thin films were investigated by X-ray diffraction ... -
Enhancement of hydrogen storage properties of Ca3CH antiperovskite compound with hydrogen doping
The doping effect of hydrogen on the Ca3CHx (x = 1, 4, 7, 9, and 10) antiperovskite compounds has been examined using density functional theory (DFT). The results of the structural optimizations show that all these compounds ... -
Equiatomic quaternary Heusler compounds TiVFeZ (Z=Al, Si, Ge): Half-metallic ferromagnetic materials
(Elsevier Ltd, 2021)Equiatomic quaternary Heusler compounds (EQHCs) are very promising materials for spintronic applications due to their excellent electronic and magnetic properties. In this study, structural, electronic, magnetic, mechanic, ... -
Experimental and theoretical investigation of the mechanical characteristics of sillenite compound: Bi12GeO20
(Elsevier Ltd, 2021)The present study reports the mechanical and elastic characteristics of Bi12GeO20 (BGO) compound by experimental nanoindentation measurements and density functional theory (DFT) calculations. X-ray diffraction pattern of ... -
First principles study on new half-metallic ferromagnetic ternary zinc-based sulfide and telluride (Zn3VS4 and Zn3VTe4)
(Institute of Physics Publishing, 2019)In this resear, we have investigated electronic and magnetic behavior and also some mechanical properties of ternary zinc-based chalcogenides Zn3VCh4 (Ch =S and Te) conform to space group with 215 space number, which have ... -
First principles study on the structural, electronic, mechanical and lattice dynamical properties of XRhSb (X = Ti and Zr) paramagnet half-Heusler antimonides
(IOP PUBLISHING LTD, 2019)The half-Heusler TiRhSb and ZrRhSb alloys in the formation of face-centered cubic MgAgAs-type structure, which conforms to the F (4) over bar 3m space group with 216 as the space number, have been investigated using ...
