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Ab-initio study of the structural, electronic, elastic and vibrational properties of HfX (X = Rh, Ru and Tc)
(TAYLOR & FRANCIS LTD, 2017)The structural, elastic, electronic and phonon properties of HfX (X = Rh, Ru and Tc) in the caesium-chloride phase have been investigated using the density functional theory within the generalized gradient approximation. ... -
RF Fingerprinting of IoT Devices Based on Transient Energy Spectrum
(IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC, 2019)Radio frequency (RF) fingerprinting is considered as one of the promising techniques to enhance wireless security in the Internet of Things (IoT) applications. In this paper, a low-complexity RF fingerprinting method for ... -
Experimental (X-ray, FT-IR, and UV-Vis Spectroscopy) and Theoretical Methods (DFT Study) of N'-(Dipyridin-2-ylmethylene)-4-methylbenzenesulfonohydrazide
(PLEIADES PUBLISHING INC, 2017)A new hydrazone derivative was synthesized and characterized by IR, UV-Vis spectroscopy, elemental analysis and single-crystal X-ray diffraction. The compound was established to reveal antibacterial activity. The compound ... -
Synthesis, structural characterization, Hirshfeld analyses, and biological activity studies of Ni(II) and Zn(II) complexes containing the sulfonohydrazone group
(ELSEVIER SCIENCE SA, 2019)In this work, the nickel ([NiL2]) and zinc ([ZnL2]) complex structures of N'-(dipyridin-2-ylmethylene)-4-methylbenzenesulfonohydrazide [LH] have been synthesized. The structures of the complexes have been investigated by ... -
Synthesis, crystal structure, Hirshfeld surface and DFT studies of ([Cu(3-ptp)(2)(p-TS)(2)]) from decomposition of tosylhydrazone
(ELSEVIER SCIENCE BV, 2018)(3-ptp) and (p-TS) compounds are formed by decomposition of the tosylhydrazone ligand (LH). A mechanism for the decomposition of tosylhydrazone is proposed. The compounds formed by the decomposition coordinated to Cu(II) ... -
Phase transition of Nowotny-Juza NaZnX (X = P, As and Sb) compounds at high pressure: Theoretical investigation of structural, electronic and vibrational properties
(ELSEVIER SCIENCE BV, 2014)A theoretical study of structural, electronic, elastic and phonon properties of NaZnX (X = P, As and Sb) compounds is presented by performing ab initio calculations based on density-functional theory using the full-potential ... -
Structural, electronic and vibrational properties of ordered intermetallic alloys CoZ (Z=Al, Be, Sc and Zr) from first-principles total-energy calculations
(TAYLOR & FRANCIS LTD, 2013)Self-consistent band calculations on four intermetallic compounds of the CsCl structure are presented. The calculations were performed employing the self-consistent ultrasoft pseudopotential method based on the density ... -
Synthesis, structural characterization, Hirshfeld surface analysis, antimicrobial activity, and DNA cleavage studies of (Z)-4-methyl-N '-(phenyl(pyridin-2-yl)methylene)benzenesulfonohydrazide and its Co(II), Ni(II) and Zn(II) complexes
(ELSEVIER, 2019)The NNO tridentate Schiff base ligand of 2-benzoyl pyridine sulfonyl hydrazone (HL) and its transition metal complexes [CoL2] (1), [NiL2] (2) and [ZnL2] (3) have been synthesized and characterized by analytical and ... -
Electronic structure and vibrational properties in cobalt-based full-Heusler compounds: A first principle study of Co2MnX (X = Si, Ge, Al, Ga)
(ELSEVIER SCIENCE SA, 2013)First-principles self-consistent pseudopotential plane wave calculations based on density functional theory were performed in order to study magnetic moments, density of states and half-metallicity of L2(1) type full Heusler ... -
Elastic and phonon properties of quaternary Heusler alloys CoFeCrZ (Z = Al, Si, Ga and Ge) from density functional theory
(TAYLOR & FRANCIS LTD, 2014)The structural, elastic and phonon properties of the quaternary CoFeCrZ (Z=Al, Si, Ga and Ge) Heusler alloys have been investigated using the generalized gradient approximation method within density functional theory. The ... -
First-principles study of structural, electronic, elastic and phonon properties of AB(2)O(4) (A = Ge, Si; B = Mg, Zn, Cd) spinel oxides
(WORLD SCIENTIFIC PUBL CO PTE LTD, 2016)The structural, electronic, elastic and phonon properties of the cubic spinels AB(2)O(4) (A = Ge, Si; B = Mg, Zn, Cd) compounds at zero pressure are investigated via density functional theory (DFT) using the Perdew-Burke-Ernzerhof ... -
First principles investigations of the structural, elastic, electronic, vibrational and thermodynamic properties of hexagonal XAl2O4 (X = Cd, Ca and Sr)
(IOP PUBLISHING LTD, 2019)Developing functional semiconductors for electronics, catalysis and photo electrochemical cells (PECs) that will take place of conventional semiconductors is very important. Despite intensive studies conducted about ...
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