Bulletin of the American Physical Society
APS March Meeting 2017
Volume 62, Number 4
Monday–Friday, March 13–17, 2017; New Orleans, Louisiana
Session H38: Beyond Li-ion Batteries / Heat engines |
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Sponsoring Units: GERA Chair: Raymond Osborn, ANL Room: 385 |
Tuesday, March 14, 2017 2:30PM - 2:42PM |
H38.00001: Sublattice Melting in Na$_x$V$_2$O$_5$ Raymond Osborn, Matthew Krogstad, Stephan Rosenkranz, Peter Zapol, Anh Ngo, John Vaughey, Jacob Ruff We have developed efficient methods of measuring single crystal diffuse scattering, using synchrotron x-rays, that provide new insights into cation disorder in electrode materials. Large volumes in reciprocal space are transformed into 3D pair distribution functions (3D-$\Delta$PDF) that image defect-defect correlations in real space, allowing a model-independent view of short-range order. We demonstrate this with data on $\beta$-Na$_x$V$_2$O$_5$ with $x=0.2$ and 0.4 over the temperature range 100K to 500K. The sodium intercalants partially occupy sites on two-rung ladders penetrating the framework of vanadium oxide pyramids and octahedra, with no long-range order at room temperature and above. However, at $x=0.4$, the length scale of sodium-sodium correlations increases significantly below 200K with the emergence of forbidden Bragg peaks below an order-disorder transition. The 3D-$\Delta$PDF show that the sodium ions occupy alternate sites on each ladder rung, with a zig-zag configuration that is in phase with neighboring ladders. The growth in the length scale of sodium-sodium correlations with decreasing temperature is clearly seen in real space images that allow a quantitative determination of the interionic interactions that impede ionic mobility. [Preview Abstract] |
Tuesday, March 14, 2017 2:42PM - 2:54PM |
H38.00002: Transparent, Flexible and Light-Sensitive High Performance Solid-State Supercapacitor Buddha Deka Boruah, Arnab Maji, Abha Misra Supercapacitor, considered as a promising energy storage device because of their additional unique features such as high power density, fast charge--discharge rate, long cycling life, safe operation and low cost, etc. Therefore, recently the rapid development of transparent and flexible supercapacitor is considered as great research challenge. In general, during the fabrication of flexible and transparent supercapacitor, electroactive materials directly transfer on the flexible current collectors or bind the electroactive materials with the current collectors using binder. However, the direct transfer of electrochemically active materials on the current collectors induce higher junction resistance due to weak adhesion. This results in introducing the rapid voltage or capacitance drops during the charging-discharging process of supercapacitors. These issues are resolved by directly growing ZnCo2O4 nanorods (NRs) on flexible indium tin oxide (ITO) coated polyethylene terephthalate (PET) substrates (ZnCo2O4 NRs/ITO) to fabricate transparent, solid-state ITO/ZnCo2O4 NRs//ZnCo2O4 NRs/ITO supercapacitor. Large surface-to-volume ratio of ZnCo2O4 NRs exposes more electrochemically active surface area. The direct growth of ZnCo2O4 NRs on ITO coated PET provides unique ion/charge conduction path and hence excellent ion-diffusion efficiency. Furthermore, fabricated electrodes and the solid-state supercapacitor display the excellent transparency and highly sensitive towards the visible light illumination. [Preview Abstract] |
Tuesday, March 14, 2017 2:54PM - 3:06PM |
H38.00003: Abstract Withdrawn
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Tuesday, March 14, 2017 3:06PM - 3:18PM |
H38.00004: Pulsed photoinitiated synthesis of reduced graphitic oxides-coated Co3O4 nanocomposite thin film for silicon-based micro-supercapacitor application Sijun Luo, Moses Oguntoye, Briley Bourgeois, Joshua Shipman, Noshir Pesika, Douglas Chrisey Herein we report a novel approach to pulsed photoinitiated synthesis of reduced graphitic oxides-coated Co3O4 in-situ nanocomposite thin film on Cu-coated silicon substrate through pulsed white light irradiating photosensitive Co-organic precursor drop-casted on the substrate. The instantaneous photoinitiated pyrolysis of precursor occurred in the first pulse irradiation forms graphitic oxides-coated Co3O4 nanocrystalline composite thin film with a 3-D nanostructure. The subsequent tens of pulses irradiation with a fluence of 7.7 J/cm2 for about 40 seconds improves the crystalline quality of Co3O4 nanograins and leads to reduction of graphitic oxides through pulsed photothermal effect. After 80,000 times of stable charge-discharge cycling in KOH electrolyte (measured at 2 mA/cm2 in a three-electrode cell), the nanocomposite thin film with a thickness around 1 um shows unoptimized specific areal capacity as high as 50 mF/cm2 and rate capability of 60 {\%} retention from 0.1 mA/cm2 to 10 mA/cm2. This straightforward and scalable thin film processing opens a way to practical application of thin film-based micro-supercapacitor in silicon-based microelectronics devices and microelectromechanical systems. [Preview Abstract] |
Tuesday, March 14, 2017 3:18PM - 3:30PM |
H38.00005: Atomistic simulation studies of lithiated and sodiated TiO2 nanoarchitectures. Phuti Ngoepe, Kenneth Kgatwane, Malili Matshaba, Dean Sayle Simulated amorphisation recrystallization methods, are now routinely used to generate models of various nano-architectures for metal oxides with complex microstructural details [1]. Herein, we present a detailed simulated synthesis for nano-architectures of mixed TiO$_{\mathrm{2}}$ brookite and ruitle polymorphs as anode material for Li-ion, and Na-ion batteries. Volume changes associated with electrochemical insertion during charging are predicted. The resulting nanostructures are characterised from visual images, radial distribution functions, XRDs and simulated microstructures. Discussions on amounts of Li- and Na-ions that can be accommodated in such nano-architectures and how they influence ion transport are presented. [1] M.G. Matshaba, D.C. Sayle, T.X.T. Sayle and P.E. Ngoepe, J. Phys. Chem. C, (2016), 120, 14001. [Preview Abstract] |
Tuesday, March 14, 2017 3:30PM - 3:42PM |
H38.00006: Investigation of the working mechanism in the Graphene-Aluminum ion Battery Anthony Childress, Jingyi Zhu, Ramakrishna Podila, Apparao Rao The need for ``beyond lithium'' systems has renewed interests in aluminum-ion batteries. It was recently discovered that few-layer graphene (FLG) can serve as an intercalation medium for aluminum tetrachloride anions, allowing it to be used as a cathode material in Al-ion batteries. The cells made with the pristine and defect-engineered FLG cathodes and aluminum anode have stable discharge plateaus with energy and power densities as high as 275 kWh/kg and 3500 kW/kg and a stable cycling performance of up to 7,000 cycles, providing a promising alternative to state-of-the-art Li-ion batteries. In the work to be presented, we elucidate the fundamental mechanism underlying Al-ion transport and redox reactions through in-situ Raman spectroelectrochemistry. [Preview Abstract] |
Tuesday, March 14, 2017 3:42PM - 3:54PM |
H38.00007: First principle calculations of discharge curves of organic batteries with organic carbonyl compounds Josiane Gaudreau, V\'eronique Brousseau Couture, Michel C\^ot\'e The issue of intermittence in the production of energy from renewable sources could be alleviated using efficient/cost effective electrical storage facilities. Particularly, the organic batteries represent a green solution to this problem because of their potential low cost. The use of carbonyl materials as organic cathodes wields good results in terms of voltage and theoretical capacity for such batteries. The aim of this project is to predict the discharge curves of organic cathode batteries using first principle calculations. We use DFT results to predict the voltage of experimentally-tested materials for different redox stages. We study multiple methods, including different functionals (B3LYP and PBE) and implicit solvation model (SMD and PCM) to find which ones are most suitable for prediction purposes on a range of carbonyl compounds. [Preview Abstract] |
Tuesday, March 14, 2017 3:54PM - 4:06PM |
H38.00008: Multifunctional Graphene-based Hybrid Nanomaterials for Electrochemical Energy Storage. Sanju Gupta Intense research in renewable energy is stimulated by global demand of electric energy. Electrochemical energy storage and conversion systems namely, supercapacitors and batteries, represent the most efficient and environmentally benign technologies. Moreover, controlled nanoscaled architectures and surface chemistry of electrochemical electrodes is enabling emergent next-generation efficient devices approaching theoretical limit of energy and power densities. This talk will present our recent activities to advance design, development and deployment of composition, morphology and microstructure controlled two- and three-dimensional graphene-based hybrids architectures. They are chemically and molecularly bridged with carbon nanotubes, conducting polymers, transition metal oxides and mesoproprous silicon wrapped with graphene nanosheets as engineered electrodes for supercapacitor cathodes and battery anodes. They showed significant enhancement in terms of gravimetric specific capacitance, interfacial capacitance, charging-discharging rate and cyclability. We will also present fundamental physical-chemical interfacial processes (ion transfer kinetics and diffusion), imaging electroactive sites, and topography at electrode/electrolyte interface governing underlying electrochemical mechanisms via scanning electrochemical microscopy. [Preview Abstract] |
Tuesday, March 14, 2017 4:06PM - 4:18PM |
H38.00009: The effect of co-solvent addition on Li-solvation in solvate electrolytes in Li-S batteries Kah Chun Lau, Kimberly A See, Heng-Liang Wu, Minjeong Shin, Larry A Curtiss, Andrew A Gewirth Li?S batteries are a promising next-generation battery technology. Due to the formation of soluble polysulfides during cell operation, the electrolyte composition of the cell plays an active role in directing the formation and speciation of the soluble lithium polysulfides. Recently, new classes of electrolytes termed `solvates' that contain stoichiometric quantities of salt and solvent and form a liquid at room temperature have been explored due to their sparingly solvating properties with respect to polysulfides. The viscosity of the solvate electrolytes is understandably high limiting their viability, however, cosolvents that thought to be inert to the solvate structure itself, can be introduced to reduce viscosity and enhance diffusion. In this work, Raman and NMR spectroscopy coupled with ab initio molecular dynamics simulations are used to study the unique solvation structure of 1,1,2,2-tetrafluoroethyl 2,2,3,3-tetrafluoropropyl ether as co-solvent in solvate (MeCN)$_{\mathrm{2}}$?LiTFSI electrolyte that used in Li-S battery. The underlying design rules and implications to Li-S battery performance will be discussed. [Preview Abstract] |
Tuesday, March 14, 2017 4:18PM - 4:30PM |
H38.00010: A Study on the Performance and Electrochemistry of Bryophyllum pinnatum Leaf (BPL) Electrochemical Cell Mohammad Al Mamun, M. I. Khan, M.H. Sarker, K.A. Khan The study was carried out to investigate on an innovative invention, Pathor Kuchi Leaf (PKL) electrochemical cell, which is fueled with PKL sap of widely available plant called Bryophyllum pinnatum as an energy source for use in PKL battery to generate electricity. This battery, a primary source of electricity, has several order of magnitude longer shelf-lives than the traditional Galvanic cell battery, is still under investigation. In this regard, we have conducted some experiments using various instruments including Atomic Absorption Spectrophotometer (AAS), Ultra-Violet Visible spectrophotometer (UV-Vis), pH meter, Ampere-Volt-Ohm Meter etc. The AAS, UV-Vis and pH metric analysis data provided that the potential and current were produced as the Zn electrode itself acts as reductant while Cu$^{2+\, }$and H$^{+}$ ions are behaving as oxidant. The significant influence of secondary salt on current and potential leads to the dissociation of weak organic acids in PKL juice, and subsequent enrichment to the reactant ions by the secondary salt effects. However, the liquid junction potential was not as great as minimized with the opposite transference of organic acid anions and H$+$ ions as their dissimilar ionic mobilities. Moreover, the large value of equilibrium constant (K) implies the big change in Gibbs free energy ($\Delta $G), revealed the additional electrical work in presence of PKL sap. This easily fabricated high performance PKL battery can demonstrate an excellent promise during the off-peak across the country-side. [Preview Abstract] |
Tuesday, March 14, 2017 4:30PM - 4:42PM |
H38.00011: Quantum Heat Engines Described by a Master Equation with Pumping Terms Sangchul Oh, Sabre Kais Using master equation approach, we study quantum heat engine models such as solar cells and photosynthetic systems that converts hot thermal radiation into useful works. In contrast with a conventional master equation description that a quantum heat engine is simply coupled with a hot reservoir, we introduce the pumping term in order to take into account absorbed photon flux which makes donors excited.The current-voltage curve of the photocell is obtained by solving the Pauli master equation with the pumping term. We find that the power output of the photocell increases linearly at first, and then becomes saturated as the pumping rate increases. This linear increase in the power output as a function of the pumping rate is similar to the increase in the power output of a conventional solar cell with the light intensity. The pumping term introduced here might resolve the unrealistic assumption of conventional approaches that the quantum heat engine is in thermal equilibrium with the hot reservoir. [Preview Abstract] |
Tuesday, March 14, 2017 4:42PM - 4:54PM |
H38.00012: Energetics of a Heat Engine: A Molecular Dynamics Simulation Study Mulugeta Bekele, Kumneger Tadele, Yergou Tatek We perform a classical molecular dynamics simulation study of a heat engine operating between two heat reservoirs and performing a Carnot-like cycle in a finite time over a wide range of process rates. The working substance of the heat engine is made of highly concentrated interacting Lennard-Jones particles with the aim to simulate a real gas. The piston speed and temperature ratio of the cold and hot heat reservoirs are used as control parameters whereas efficiency and power output per cycle are the physical quantities of interest. The variation of these quantities as a function of the independent parameters is studied with the objective to investigate the validity of relevant theoretical predictions. For instance, for small process rates, the linear dependence of the heat engine efficiency with temperature ratio, in agreement with theory, has been demonstrated. Finally, a unified optimization criterion is applied to determine optimum operation conditions of the engine that make the best trade-off between efficiency and power output.. [Preview Abstract] |
Tuesday, March 14, 2017 4:54PM - 5:06PM |
H38.00013: Simple optimized heat engine: exploring thermodynamic behavior of finite-time quantities in the negative absolute temperature region of two-state spin systems Tolasa Adugna Dima, Mulugeta Bekele Ogato A model heat engine which operates between two reservoirs at inverse negative absolute temperatures is investigated. As the working substances of the engine, a system of two-level spin-half particles, in the thermodynamic limit, subjected to a time-dependent external magnetic field is used. We derive analytically the expressions for the net work done, net heat absorbed and the efficiency in terms of the occupation probability in the excited state and inverse negative temperature. The quaistatic efficiency is found to coincide with the Carnot efficiency of the model.In the finite-time process, the expressions for the power, efficiency and period are derived. An optimum working condition for the heat engine is also sought by employing a unified criterion for energy converters. Accordingly, the model engine is effectively optimized and yields optimum finite-time quantities. To estimate the overall performance of the engine we propose a figure of merit as a product of scaled optimized power and scaled optimized efficiency where the scaled optimized power is the ratio of optimized power to the maximum power and the scaled optimized efficiency is the ratio of the optimized efficiency to efficiency at the maximum power. We found the figure of merit in the model to be around 1.1. [Preview Abstract] |
Tuesday, March 14, 2017 5:06PM - 5:18PM |
H38.00014: Abstract Withdrawn
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Tuesday, March 14, 2017 5:18PM - 5:30PM |
H38.00015: Application of coupled mode theory on radiative heat transfer between layered insulating materials Chungwei Lin, Bingnan Wang, Koon Hoo Teo Coupled mode theory (CMT) provides a simple and clear framework to analyze the radiation energy exchange between reservoirs. We apply CMT to analyze the radiative heat transfer between layered insulating materials, whose dielectric functions can be approximated by the Lorentz oscillator model. By comparing the transmissivity computed by the exact solution to that computed by CMT, we find CMT generally gives a good approximation for this class of materials. The biggest advantage of CMT analysis, in our opinion, is that only the (complex) resonant energies are needed to obtain the radiation energy transfer; the knowledge of spatial profile of resonances is not required. Applications of CMT to thermophotovoltaic system will be discussed. [Preview Abstract] |
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