Polymer electrolytes based on agarose dissolved in DMSO solvent complexed with different weight percentages of Mg(NO3)2 ranging from 0 to 35 wt% were prepared using a solution casting method. Electrochemical impedance spectroscopy (EIS) was applied to study the electrical properties of this polymer electrolyte, such as ionic conductivity at room and different temperatures, dielectric and modulus properties. The highest conducting film has been obtained at 1.48 × 10−5 S·cm−1 by doping 30 wt% of Mg(NO3)2 into the polymer matrix at room temperature. This high ionic conductivity value is achieved due to the increase in the amorphous nature of the polymer electrolyte, as proven by X-ray diffractometry (XRD), where broadening of the amorphous peak can be observed. The intermolecular interactions between agarose and Mg(NO3)2 are studied by Fourier transform infrared (FTIR) spectroscopy by observing the presence of –OH, –CH, N–H, CH3, C–O–C, C–OH, C–C and 3,6-anhydrogalactose bridges in the FTIR spectra. The electrochemical properties for the highest conducting agarose–Mg(NO3)2 polymer electrolyte are stable up to 3.57 V, which is determined by using linear sweep voltammetry (LSV) and supported by cyclic voltammetry (CV) that proves the presence of Mg2+ conduction.
Bi2Se3 is one of the promising materials in thermoelectric devices and very useful out of environmental concern due to its efficiency to perform at room temperature. Based on the first-principles calculation of density functional theory (DFT) by using CASTEP computer code, structural and electronic properties of Bi2Se3 were investigated. The calculation is conducted within the exchange-correlation of local density approximation (LDA) and generalized gradient approximation within the revision of Perdew-Burke-Ernzerhof (GGA-PBE) functional. It was found that the results are consistent with previous works of theoretical study with small percentage difference. LDA exchange-correlation functional method is more accurate and have a better agreement than GGA-PBE to describe the structural properties of Bi2Se3 which consist of lattice parameters. LDA functional also shown more accurate electronic structure of Bi2Se3 that consist of band structure and density of states (DOS) which consistent with most previous theoretical works with small percentage difference. This study proves the reliability of CASTEP computer code and show LDA exchange-correlation functional is more accurate in describing the nature of Bi2Se3 compared to the other functionals.
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