Description Of Charge Transfer Research Articles

A magnetic/force coupling assisted lithium-oxygen battery based on magnetostriction and piezoelectric catalysis of CoFe2O4/BiFeO3 cathode

The high energy density of Li−O2 batteries surpasses all existing batteries, and it holds the potential to emerge as the most outstanding solution for energy storage in the future. However, the insulated, insoluble discharge product (Li2O2) has impeded the practical applications. Conventional catalyst design based on electronic structure and interfacial charge transfer descriptors are incapable of overcoming these limitations of Li2O2. Herein, a magnetic/force coupling assisted Li−O2 battery based on magnetostrictive and piezoelectric catalysis with CoFe2O4/BiFeO3 core-shell structure cathode was established for the first time. An external magnetic field is introduced to produce a magnetostrictive stress on CoFe2O4, contributing to the piezoelectric electron hole transport by the generated piezoelectric potential energy with a built-in electric field based on the piezoelectric catalytic mechanism, and thus promoting the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) kinetics, and reducing the overpotential during charge/discharge. The magnetic/force coupling assisted Li−O2 battery equipped with the unique CoFe2O4/BiFeO3 cathode deliver an ultra-low charging platform of 3.49 V and an ultra-high discharge platform of 2.83 V. This unique magnetic/force assisted strategy provides an important insight into solving the high overpotential in metal-air battery systems.

System-Specific Parameter Optimization for Nonpolarizable and Polarizable Force Fields.

The accuracy of classical force fields (FFs) has been shown to be limited for the simulation of cation-protein systems despite their importance in understanding the processes of life. Improvements can result from optimizing the parameters of classical FFs or by extending the FF formulation by terms describing charge transfer (CT) and polarization (POL) effects. In this work, we introduce our implementation of the CTPOL model in OpenMM, which extends the classical additive FF formula by adding CT and POL. Furthermore, we present an open-source parametrization tool, called FFAFFURR, that enables the (system-specific) parametrization of OPLS-AA and CTPOL models. The performance of our workflow was evaluated by its ability to reproduce quantum chemistry energies and by molecular dynamics simulations of a zinc-finger protein.

Density Functional Theory and Raman Spectroscopy Studies of Adsorption Sites of Au Nanoparticles with Alectinib.

Alectinib is an ALK tyrosine kinase inhibitor, which is mainly used in patients with crizotinib-resistant nonsmall cell lung cancer. Alectinib has attracted much clinical attention for its longest progression-free survival time and the best therapeutic effect. The chemical adsorption of Au nanoclusters (AuNPs) with alectinib molecules is studied by density functional theory (DFT) and surface-enhanced Raman scattering spectroscopy (SERS) experiments. DFT/B3LYP-D3/6-311G** was used for optimization and vibration analysis of alectinib-Au6 complexes, as well as molecular electrostatic potential, frontier molecular orbital, and electro-optic-based charge transfer descriptors. Comparing the results of the DFT theory and SERS experiment, alectinib and AuNPs can form Au-N6 bonds primarily through chemical adsorption of N6 atoms, and the experimental results showed that the enhancement factor (EFCHEM) could reach 4.27. The results provide a theoretical basis for exploring the mechanism of chemical enhancement between AuNPs and alectinib.

Computational algorithms for a one-dimensional MEP model of charge transfer in semiconductors

Subject of research: hydrodynamic model describing charge transfer in semiconductor devices in the one-dimensional case.
 Purpose of research: to develop computational algorithms for finding a numerical solution of a ballistic diode problem.
 Methods and objects of research: the object of research is the ballistic diode problem. The developed computational algorithms are based on the use of the method of lines, the method of establishment, various non-stationary regularizations and schemes without saturation.
 Main results of the research: computational schemes were developed based on the use of the spline function technique, on reducing the problem to integral equations and using the predictor-corrector scheme.

Heterogeneous Catalyst as a Functional Substrate Governing the Shape of Electrochemical Precipitates in Oxygen-Fueled Rechargeable Batteries.

Lithium-oxygen batteries have the potential to become the most eminent solution for future energy storage with their theoretical energy density exceeding all existing batteries. However, the insulating and insoluble discharge product (lithium peroxide; Li2O2) impairs practical application. Conventional catalyst designs based on the electronic structure and interfacial charge transfer descriptors have not been able to overcome these limitations due to Li2O2. Herein, we revisit the role of heterogeneous catalysts as substrates to regulate Li2O2 growth and the formation of solid/solid reaction interfaces. We demonstrate that controlled solid/solid interfacial structure design is a critical performance parameter beyond the inherent electronic structure. In particular, the Cu2O substrate in this study induces a homogeneous deposition of Pd atoms, which leads to well-controlled growth of Li2O2 resolving mass and charge transport limits (i.e., the bottleneck of oxygen reduction/evolution reactions), thus improving reversibility, capacity, and durability of the cells by dissipating electrochemical and mechanical stress. We thus verified the essential role of solid/solid interfaces to regulate the nucleation and growth process of Li2O2 in lithium-oxygen batteries.

The importance of a charge transfer descriptor for screening potential CO2 reduction electrocatalysts

It has been over twenty years since the linear scaling of reaction intermediate adsorption energies started to coin the fields of heterogeneous and electrocatalysis as a blessing and a curse at the same time. It has established the possibility to construct activity volcano plots as a function of a single or two readily accessible adsorption energies as descriptors, but also limited the maximal catalytic conversion rate. In this work, it is found that these established adsorption energy-based descriptor spaces are not applicable to electrochemistry, because they are lacking an important additional dimension, the potential of zero charge. This extra dimension arises from the interaction of the electric double layer with reaction intermediates which does not scale with adsorption energies. At the example of the electrochemical reduction of CO2 it is shown that the addition of this descriptor breaks the scaling relations, opening up a huge chemical space that is readily accessible via potential of zero charge-based material design. The potential of zero charge also explains product selectivity trends of electrochemical CO2 reduction in close agreement with reported experimental data highlighting its importance for electrocatalyst design.

Electronic Structure and Excited State Dynamics of Cadmium Chalcogenide Nanorods

The cylindrical quasi-one-dimensional shape of colloidal semiconductor nanorods (NRs) gives them unique electronic structure and optical properties. In addition to the band gap tunability common to nanocrystals, NRs have polarized light absorption and emission and high molar absorptivities. NR-shaped heterostructures feature control of electron and hole locations as well as light emission energy and efficiency. We comprehensively review the electronic structure and optical properties of Cd-chalcogenide NRs and NR heterostructures (e.g., CdSe/CdS dot-in-rods, CdSe/ZnS rod-in-rods), which have been widely investigated over the last two decades due in part to promising optoelectronic applications. We start by describing methods for synthesizing these colloidal NRs. We then detail the electronic structure of single-component and heterostructure NRs and follow with a discussion of light absorption and emission in these materials. Next, we describe the excited state dynamics of these NRs, including carrier cooling, carrier and exciton migration, radiative and nonradiative recombination, multiexciton generation and dynamics, and processes that involve trapped carriers. Finally, we describe charge transfer from photoexcited NRs and connect the dynamics of these processes with light-driven chemistry. We end with an outlook that highlights some of the outstanding questions about the excited state properties of Cd-chalcogenide NRs.

Electronic structure of YbFe4Al8 antiferromagnet: A combined X-ray photoelectron spectroscopy and first-principles study

Depending on their chemical composition, Yb compounds often exhibit different valence states. Here we investigate the valence state of YbFe4Al8 using X-ray photoelectron spectroscopy (XPS) and first-principles calculations. The XPS valence band of YbFe4Al8 consists of two contributions coming from divalent (Yb2+) and trivalent (Yb3+) configurations. The determined value of the valence at room temperature is 2.81. Divalent and trivalent contributions are also observed for core-level Yb 4d XPS spectra. We study several collinear antiferromagnetic models of YbFe4Al8 from the first-principles and for comparison we also consider LuFe4Al8 with a fully filled 4f shell. We predict that only Fe sublattices of YbFe4Al8 carry significant magnetic moments and that the most stable magnetic configuration is AFM-C with antiparallel columns of magnetic moments. We also present a Mulliken electronic population analysis describing charge transfer both within and between atoms. In addition, we also study the effect of intra-atomic Coulomb U repulsion term applied for 4f orbitals on Yb valence and Fe magnetic moments.

Charge-Transfer Excitations within Density Functional Theory: How Accurate Are the Most Recommended Approaches?

The performance of the most recent density functionals is assessed for charge-transfer (CT) excitations using comprehensive intra- and intermolecular CT benchmark sets with high-quality reference values. For this comparison, the state-of-the-art range-separated (RS) and long-range-corrected (LC) double hybrid (DH) approaches are selected, and global DH and LC hybrid functionals are also inspected. The correct long-range behavior of the exchange–correlation (XC) energy is extensively studied, and various CT descriptors are compared as well. Our results show that the most robust performance is attained by RS-PBE-P86/SOS-ADC(2), as it is suitable to describe both types of CT excitations with outstanding accuracy. Furthermore, concerning the intramolecular transitions, unexpectedly excellent results are obtained for most of the global DHs, but their limitations are also demonstrated for bimolecular complexes. Despite the outstanding performance of the LC-DH methods for common intramolecular excitations, serious deficiencies are pointed out for intermolecular CT transitions, and the wrong long-range behavior of the XC energy is revealed. The application of LC hybrids to such transitions is not recommended in any respect.

Imidazolium based superalkalis as building block for Lewis base

Inquest for efficient Lewis base an in-silico investigation on NH3 and its structurally similar molecules has been carried out. It has been observed that the ionization energy of the groups attached to the N-centre plays a vital role in determining their stability and reactivity. Among different groups, superalkali ligands make a better Lewis base. Several conceptual DFT descriptors like electrophilicity, nucleophilicity, dual descriptors have been used to analyse the stability and reactivity of the proposed Lewis base. The calculated charge transfer descriptor describes the efficiency of the designed Lewis base to form an adduct with Lewis acid. nc-2e (n = 1,2) AdNDP calculation lends additional support to the bonding of the studied molecules.

Is it possible to ”simply” predict the photoejection of a cation? Example of azacrown-substituted [(bpy)Re(CO)[formula omitted]L][formula omitted] complexes

In the context of designing efficient photocontrolled ion-release systems, we propose a ”simple” computational strategy able to predict the cation photoejection. Our strategy is based on TD-DFT calculations and the analysis of the charge transfer (CT) parameters of the excited states that can be populated for a given excitation wavelength, in the Franck–Condon region.With the help of CT descriptors (the variation of the electronic density, the so-called DCT index and the variation of natural population analysis NPA charges), we aim to identify the CT states presenting a depletion of electronic density on the complexation site after excitation. If the loss of electronic density is large enough in the cation binding site, the population of such a state should be the first step of the mechanism leading to the cation photorelease.We test this strategy on ReAZBAP+-Mn+ (Mn+ = Li+, Na+, Mg2+, Ca2＋, Ba2+) and ReAZAT+-Ba2+ systems, a series of complexes synthesized and studied by Moore and co-workers [Lewis et al. (2004)]. We show that our first-order approach that does not take into account the complex excited-state decay routes, is able to correctly predict the photorelease properties with a success rate of ca. 80 percent. This method should thus be considered as a valuable tool in the framework of the in silico design of light-controlled ion release.

Theoretical Study of the Charge Transfer of Five Derivatives of Tetrathiafulvalene Complexed with Unsubstituted Tetracyanoquinodimethane

Our work consisted of a theoretical study of the charge transfer of five Tetrathiafulvalene- Tetracyanoquinodimethane (TTF-TCNQ) complexes. Global reactivity and charge transfer descriptors were determined at theory level B3LYP/6-311G (d,p). These descriptors revealed that the Tetrathiafulvalene (TTF) has a reducing character when the Tetracyanoquinodimethane (TCNQ) has an oxidizing character, the oxidation-reduction reaction between these two molecules is a polar reaction characterized by a high charge transfer, the electronic flow moves from TTF to TCNQ and the conductivity of these charge transfer complexes increases when the HOMOTTF-LUMOTCNQ energy gap decreases. When the dipole moment of TTF molecules increases, the conductivity of the complexes they form with unsubstituted TCNQ increases and leads to high charge transfer. We intend to deepen this study by proposing new complexes with more improved electrical properties.

Electrochemical and Photophysical Properties of Ruthenium(II) Complexes Equipped with Sulfurated Bipyridine Ligands.

The development of new solar-to-fuel scenarios is of great importance, but the construction of molecular systems that convert sunlight into chemical energy represents a challenge. One specific issue is that the molecular systems have to be able to accumulate redox equivalents to mediate the photodriven transformation of relevant small molecules, which mostly involves the orchestrated transfer of multiple electrons and protons. Disulfide/dithiol interconversions are prominent 2e-/2H+ couples and can play an important role for redox control and charge storage. With this background in mind, a new photosensitizer [Ru(S-Sbpy)(bpy)2]2+ (12+) equipped with a disulfide functionalized bpy ligand (S-Sbpy, bpy = 2,2'-bipyridine) was synthesized and has been comprehensively studied, including structural characterization by X-ray diffraction. In-depth electrochemical studies show that the S-Sbpy ligand in 12+ can be reduced twice at moderate potentials (around -1.1 V vs Fc+/0), and simulation of the cyclic voltammetry (CV) traces revealed potential inversion (E2 > E1) and allowed to derive kinetic parameters for the sequential electron-transfer processes. However, reduction at room temperature also triggers the ejection of one sulfur atom from 12+, leading to the formation of [Ru(Sbpy)(bpy)2]2+(22+). This chemical reaction can be suppressed by decreasing the temperature from 298 to 248 K. Compared to the archetypical photosensitizer [Ru(bpy)3]2+, 12+ features an additional low energy optical excitation in the MLCT region, originating from charge transfer from the metal center to the S-Sbpy ligand (aka MSCT) according to time-dependent density functional theory (TD-DFT) calculations. Analysis of the excited states of 12+ on the basis of ground-state Wigner sampling and using charge-transfer descriptors has shown that bpy modification with a peripheral disulfide moiety leads to an energy splitting between charge-transfer excitations to the S-Sbpy and the bpy ligands, offering the possibility of selective charge transfer from the metal to either type of ligands. Compound 12+ is photostable and shows an emission from a 3MLCT state in deoxygenated acetonitrile with a lifetime of 109 ns. This work demonstrates a rationally designed system that enables future studies of photoinduced multielectron, multiproton PCET chemistry.

Nitrogenation of Amorphous Silicon : Reactive Molecular Dynamics Simulations

Since silicon nitride (SiNx) film is more stable than SiO2, silicon nitride, thus it is widely used in semiconductor industry as an insulatorlayer. The study of nitrogenation process of a-Si was performed using molecular dynamics simulations to determine the properties of the bonds created in the structure of a-SiNx. Reactive force field (Reaxff) was used as potential in this molecular dynamic simulation owing to its ability to describe charge transfer as well as breaking and formation of atomic bonds. The structure of a-Si is obtained by melting the crystalline silicon at temperature of 3500 K followed by quenching to room temperature. The nitrogenation process was carried out by randomly distributing 900 N atoms over the a-Si surface for 60 ps at temperature varied from 300 K, 600 K, 900 K, and 1200 K. The higher the temperature nitrogenation applied in the system, the more number of N atoms adsorbed, resulting in a deeper penetration depth of Nitrogen atom. Amorphization and nitrogenation changed the distribution of coordination number of Ni, Si, and O atoms. Transfer of electrons from silicon to nitrogen occurs only in the nearest nitrogen atom with silicon atom.

The nonlinear optical properties of acyclic triarylamine-conjugated dimethyl diethynylfumarate and its two cyclic Pechmann dyes derivatives: A theoretical study

DFT and TDDFT calculations were used to investigate the potential use of two Pechmann dyes as efficient nonlinear optical (NLO) compounds. The two Pechmann dyes are with cyclic cores formed by acid-induced double lactonization from their parent acyclic core compound dimethyl 2,3-bis((4-(bis(4-methoxyphenyl)amino)phenyl)ethynyl)fumarate (parent compound; E1). The two Pechmann dyes are (E)-5,5′-bis(4-(bis(4-methoxyphenyl)amino)phenyl)-2H,2′H-[3,3′ bifuranylidene]-2,2′-dione (P55), and 3,7-bis(4-(bis(4-methoxyphenyl)amino)phenyl)pyrano[4,3-c]pyran-1,5-dione (P66). The polarizability parameters were calculated and analyzed. To rationalize the NLO response, the following parameters were calculated and discussed: (1) the charge transfer descriptors, (2) the linear optical properties, (3) Fukui indices, and (4) the two-level model. According to the calculated parameters, the better performance of P66 as NLO material was ascribed to the improved intramolecular charge transfer (IACT) properties of this molecule.

Resultant Information Description of Electronic States and Chemical Processes †.

General variations of electronic states are discussed, and the state "vertical" and "horizontal" displacements are explored. Quantum dynamics of the wave function modulus and phase components is examined, and the associated continuity relations are summarized. The probability and current contributions to overall information-theoretic (IT) descriptors of the state global and gradient entropy/information content are identified. These resultant measures are used to determine the phase equilibria in molecular systems. The currents corresponding to the entropy- and information-optimum phases are explored, the classical (probability) and nonclassical (current) flows in molecular information systems are identified, and probability interpretation of equidensity orbitals yielding the prescribed electron density is given. The physical equivalence of variational principles for the electronic energy and resultant gradient-information in open systems is stressed. It implies that their populational derivatives have the same capacity in describing charge transfer phenomena in molecules and their fragments. Illustrative application in determining thermodynamic equilibria and optimum charge transfer in molecular systems is discussed, and implications of the molecular virial theorem for bond-formation process and chemical reactions are investigated. The crucial role of the resultant gradient-information in chemical bonding is emphasized, and the Hammond postulate of reactivity theory is shown to be indexed by the reaction-coordinate derivative of electronic kinetic energy at the transition-state complex.

Mechanism of rate-limiting step switchover for reversible solid oxide cells in H2/H2O atmosphere

Hydrogen-water are the primary reactant-product pair in the fuel electrode of reversible solid oxide cells. A different dependence of polarization resistance on pH2O in fuel cell and electrolysis modes has been proven experimentally, revealing different rate-limiting steps in fuel electrodes in these two modes. Despite extensive studies on solid oxide fuel cells or solid oxide electrolysis cells, existing literature is still hard to interpret this phenomenon. To understand the reaction mechanism of reversible solid oxide cells in H2/H2O atmosphere during current direction switch, we develop an elementary reaction mechanistic model of a nickel-patterned electrode button cell coupling charge transfer reactions, surface heterogeneous chemical reactions, and surface diffusion. We use a two-step hydrogen spillover mechanism, i.e., H(Ni)+O2−(YSZ) ↔ (Ni)+OH−(YSZ) +e− and H(Ni)+OH−(YSZ) ↔ (Ni)+H2O(YSZ)+e−, to describe charge transfer reactions. This model can well interpret this phenomenon, and further, reveal the inherent relationship between the operating condition and cell performance. Model calculation reveals that the limitation of OH−(YSZ) surface coverage (<1%) results that the charge transfer reaction generating OH−(YSZ) dominates electrochemical reaction rate no matter which mode a cell operates. To enhance the electrochemical performance of fuel electrode, it is the key to understand how to enhance the surface concentration of OH−(YSZ).

ESIPT-rhodol derivatives with enhanced Stokes shift: Synthesis, photophysical properties, viscosity sensitivity and DFT studies

Three rhodol derivatives, namely spirolactamized phenanthrene-imidazole, diphenyl-imidazole and benzothiazole substituted N, N-diethylamine rhodols were designed, synthesized and characterized. Their photophysical properties were studied in spirocyclic and open form from non-polar to polar solvents. The spirocyclic form exhibited larger Stokes shifts (50–260 nm) due to presence of ESIPT process whereas, open form showed small Stokes shift (10–40 nm) due to the lack of protons. Positive solvatochromism was observed for both the spirocyclic and open forms which is well supported by the linear (Lippert-Mataga and Mac-Rae) and multi-linear (Kamlet-Taft and Catalan parameters) analysis. Solvent polarizability (dSP) is the major factor responsible for red shift in absorption/emission and larger Stokes shift for spirocyclic form. Polarity graphs and charge transfer descriptors are in good relation with Generalized Mulliken-Hush (GMH) parameters. From the solvatochromic data we observed that open forms show good TICT characteristics as compared to their respective spirocyclic forms. Open form is highly sensitive to viscosity as compared to spirocyclic form in a mixture of polar-protic solvents (EtOH:PEG 400). The experimental results are well correlated theoretically using Density Functional Theory (DFT) computations.

Novel blue-green emitting NLOphoric triphenylamine-imidazole based donor-π-acceptor compound: Solvatochromism, DFT, TD-DFT and non-linear optical studies.

Novel Donor (D)-π-Acceptor (A) NLOphoric triphenylamine-imidazole based dye 9 was designed, synthesized, and confirmed by Mass, 13C NMR, and 1H NMR analysis. Photophysical properties of 9 were studied in solvents of different polarities and compared with analogues compounds 7 and 8. Phenonthroline acceptor based dye 9 shows highly bathochromic shifted absorption and emission compared to dyes 7 and 8. Positive solvatochromism was noticed in 7, 8, and 9 which was supported by the linear (i.e. Lippert-Mataga and Mac-Rae polarity functions) and multi-linear (i.e. Kamlet-Taft and Catalan parameters) analysis. Moreover, solvent polarizability (dSP) and solvent dipolarity (CSdP) are the major factors responsible for red shift in absorption as well as in emission spectra. Charge transfer descriptors as well as the polarity graphs are in good relation with Generalized Mulliken-Hush (GMH) parameters. NLO properties of 7, 8, and 9 were studied by using solvatochromic and computational methods. The static first hyperpolarizability (β0) and relevant microscopic parameters (μ,α0,α,β,γ) were determined using DFT with B3LYP, BHHLYP, and CAM-B3LYP functionals. Third-order NLO properties of nitrogen containing phenanthroline based compound 9 were observed to be several times higher than those of the compounds 7 and 8, justify the design approach.

Power Hardware in the Loop (PHIL) Simulation of Battery Packs

Testing battery pack configurations for their performance under different dynamic load profiles for grid and electric vehicle applications is expensive. Lowering the cost to understand the response of packs and their control strategies is critical. Power hardware in the loop (PHIL) simulation is widely used in power engineering for system and component testing. A simulator computes the model output in real-time, and then controls a power source to generate a dynamic power output with the expected current and voltage response of the emulated battery pack. This emulated battery pack power output can be coupled to a physical load to perform testing.1 Small time steps are useful to observe the transient response of the emulated battery when there is a sudden change in the load. PHIL simulations can also be useful to study the transient response of controllers and inverters present in the battery management system by connecting these devices to the simulator. PHIL simulations can be used to test the model’s accuracy2, to conduct repeatability experiments and to test battery performance under extreme conditions without compromising on safety.3 It provides an efficient approach to designing and testing new configurations of batteries from data of a single cell without building their real prototypes. The computational speed required to solve the battery models chosen for PHIL simulations must be fast in order to achieve real-time implementation. Therefore, models chosen for these simulations tend to have less complexity. However, to provide a better understanding of a battery’s response under a specific load profile, it is necessary to use a model that that accurately represents the behavior of a real battery. Real-time simulations for physics-based battery models have been explored in the past.4 , 5 , 6 It is also essential to comprehend how different battery architectures and how aging affects the overall performance. In literature, equivalent circuit models that describe charge transfer and diffusion dynamics have been used as the main way to capture battery dynamics.7 , 8 We first show results generated using SIMULINK equivalent circuit models that are compiled to run fast on our Opal-RT real-time simulator. The Opal-RT simulator drives an AMETEK 40 kW power supply with feedback to the model, enabling an emulated battery pack response capable of 10ms dynamic control. We evaluate pack configurations with physical parameters that correspond to either LCO or NMC 18650 cells. Overall, this represents a 400V, 10kW pack. A programmable load is used to modulate the emulated battery pack and monitor its dynamic response. We further explore implementing single particle models with our PHIL simulations to help understand the internal dynamics of the cell captured by these models. Physics-based models have rarely been used for PHIL. Our results show that the PHIL emulation of the battery pack meets the expectations for the battery dynamics. However, we observe high frequency noise in the output signal of the emulated battery pack. Because this level of noise is not a trait present in real battery packs, we are exploring signal processing methods to filter and remove it, while retaining the essential dynamics of the emulated battery pack. References A. Viehweider, G. Lauss, and L. Felix, Simul. Model. Pract. Theory, 19, 1699–1708 (2011).Y. He, W. Liu, and B. J. Koch, J. Power Sources, 195, 2969–2974 (2010).H. Dai, X. Zhang, X. Wei, Z. Sun, J. Wang, and F. Hu, Electr. Power Energy Syst., 52, 174–184 (2013).P. W. C. Northrop, V. Ramadesigan, S. De, and V. R. Subramanian, J. Electrochem. Soc., 158, A1461 (2011).V. R. Subramanian, V. Boovaragavan, V. Ramadesigan, and M. Arabandi, J. Electrochem. Soc., 156, A260 (2009).P. W. C. Northrop, V. Suthar, Bharatkumar Ramadesigan, S. Santhanagopalan, R. D. Braatz, and V. R. Subramanian, J. Electrochem. Soc., 161, E3149 (2014).J. V. Barreras, C. Fleischer, A. E. Christensen, M. Swierczynski, E. Schaltz, S. J. Andreasen, and D. U. Sauer, IEEE Trans. Ind. Appl., 52, 5086–5099 (2016).H. Song, T. Kim, J. Jeong, B. Kim, D. Shin, B. Lee, and H. Heo, IET Power Electron., 6, 417–424 (2013).