Publications by authors named "Manickam Minakshi Sundaram"

Charge transport characteristics in organic semiconductor devices become altered in the presence of traps due to defects or impurities in the semiconductors. These traps can lead to a decrease in charge carrier mobility and an increase in recombination rates, thereby ultimately affecting the overall performance of the device. It is therefore important to understand and mitigate the impact of traps on organic semiconductor devices.

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The time-dependent charge carrier transport and recombination processes in low-mobility organic semiconductor diodes are obtained through numerical simulations using the finite element method (FEM). The application of a Lorentz force across the diode alters the charge transport process leading to the Hall effect. In this contribution, the Hall effect parameters, such as the Hall voltage and charge carrier concentration with varying magnetic fields, are computed for both Langevin and non-Langevin type recombination processes.

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The ability to tune the interfacial region in core-shell nanocomposites with a surface reconstruction as a source for surface energy (de)stabilization is presented. We consider Zn-doped nickel molybdate (NiMoO) (ZNM) as a core crystal structure and AWO (A = Co or Mg) as a shell surface. Based on the density-functional theory method, the interfacial models of Zn-doped NiMoO@AWO (ZNM@AW) core@shell structures are simulated and revealed to undergo surface reconstruction on the (-110) and (-202) surfaces of the AW shells, where the surface degradation of ZNM@MW(-110) is observed.

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The effect of zinc (Zn) doping and defect formation on the surface of nickel molybdate (NiMoO) structures with varying Zn content has been studied to produce one-dimensional electrodes and catalysts for electrochemical energy storage and ethanol oxidation, respectively. Zn-doped nickel molybdate (NiZnMoO, where = 0.1, 0.

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The electrochemical energy storage of lithium and sodium ions from aqueous solutions in binary metal oxides is of great interest for renewable energy storage applications. Binary metal oxides are of interest for aqueous energy storage due to their better structural stability and electronic conductivity and tunability of redox potentials. They have also been widely studied as novel electrodes for supercapacitors.

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A simple two-step approach has been employed to synthesize a cobalt-nickel-copper ternary metal oxide, involving electrochemical precipitation/deposition followed by calcination. The ternary metal hydroxide gets precipitated/deposited from a nitrate bath at the cathode in the catholyte chamber of a two-compartment diaphragm cell at room temperature having a pH ≈ 3. The microstructure of the ternary hydroxides was modified in situ by two different surfactants such as cetyltrimethylammonium bromide and dodecyltrimethylammonium bromide in the bath aiming for enhanced storage performance in the electrochemical devices.

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The race for better electrochemical energy storage systems has prompted examination of the stability in the molybdate framework (MMoO; M = Mn, Co, or Ni) based on a range of transition metal cations from both computational and experimental approaches. Molybdate materials synthesized with controlled nanoscale morphologies (such as nanorods, agglomerated nanostructures, and nanoneedles for Mn, Co, and Ni elements, respectively) have been used as a cathode in hybrid energy storage systems. The computational and experimental data confirms that the MnMoO crystallized in β-form with α-MnMoO type whereas Co and Ni cations crystallized in α-form with α-CoMoO type structure.

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An attempt has been made to correlate the differences in structural parameters, surface areas, morphology etc. with the electrochemical capacitive behaviour of the EMDs. The nanostructured electrolytic manganese dioxides (EMD) have been synthesized through electrodepositing MnO2 from two different leach liquors and a synthetic analogue thereof.

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Energy storage devices based on sodium have been considered as an alternative to traditional lithium based systems because of the natural abundance, cost effectiveness and low environmental impact of sodium. Their synthesis, and crystal and electronic properties have been discussed, because of the importance of electronic conductivity in supercapacitors for high rate applications. The density of states of a mixed sodium transition metal phosphate (maricite, NaMn(1/3)Co(1/3)Ni(1/3)PO4) has been determined with the ab initio generalized gradient approximation (GGA)+Hubbard term (U) method.

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