bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Prognostic and Filtering Analysis Technique for Estimating Battery Remaining Useful Life
Authors: Morris Larry , Weatherspoon Mark H 
Published: February 2020

Evaluating the life expectance of a lithium-ion battery is critical for cost analysis in small portable device development to large sustainable electric energy systems. Estimation of the serviceability of the battery/battery pack ensures users are effectively replacing legacy components with new ones at the most opportunistic moments, ensuring critical systems failure does not occur and that the essential functions are fully operational/supported. Prediction models have been developed to assist with the maintenance/upkeep of these devices.
Capacity fade modeling is capable of detecting the effects of the growth in the solid electrolyte interphase (SEI) layer through cycling within the battery cell. Capacity fade modeling techniques are helpful with identifying remaining useful life (RUL) and is a widely hailed techniques for battery prognostic. Miao developed an unscented particle filter capable of predicting RUL in [1] but didn’t take into account the effects of depth of discharge on the cyclability of the battery cell. Guo used cycling to monitor the loss of capacity and power fade for a battery in [2] but didn’t take into account the effects of temperature. Sustained usage at multiple temperatures can have an adverse effect on the nominal battery capacity during prolonged cycling. Development of a comprehensive RUL technique can be accomplished using filtering methods to simulate the behavior of a battery under the following criteria: temperature, multiple C-rate and depth of discharge (DoD).
RUL techniques used to estimate the serviceability of the battery cell define the capacity of the battery during all useable cycles compared to the capacity of a new cell multiplied by a degradation variable. The degradation variable is based on a Bayesian estimation process which considers temperature, C-rate, and DoD for multiple discharge scenarios. Fig 1 compares the filtering techniques supported by simulated data for multiple operating voltages at ambient temperature which enables better prognostics of the battery.

References:

[1] Miao, Q., et al. “Remaing Useful Life Prediction of Lithium-Ion Battey With Unscented Particle Filter Technique.” Microelctronics Reliability 53 (2013) pp 805-810.
[2] Guo, J., et al. “A Bayesian Approach for Li-Ion Battery Capacity Fade Modeling and Cycles to Failure Prognostics.” Journal of Power Sources 281 (2015) pp 173-184.

Figure 1
Triisopropoxyboroxine (TiPBx) As an Electrolyte Additive for 18650-Type Li-Ion Batteries
Authors: Haruna Hiroshi , Takahashi Shin , Terada Shouhei , Uemura Shin , Tanaka Yasutaka 
Published: February 2020

Li-ion batteries are currently used in portable electronic and power tools, electric vehicles, and grid energy applications due to their high energy density. They have already been commercialized. However the development of higher power and capacity as well as longer life batteries becomes more pressing. One method to attain a longer life cells is to adopt electrolyte additives such as vinylene carbonate (VC) exhibiting the significant increase in lifetime [1].
Boron-based compounds have possibilities to develop advanced liquid electrolytes [2]. Xu and Angell discovered lithium bis(oxalate)borate (LiBOB), which furnished superior anodic stability up to 4.5V vs Li/Li+ [3]. The LiBOB also provided the other interactive properties for Li-ion batteries such as high stability at high temperature [4].
In this report the effects of tri-isopropoxy-boroxine (TiPBx) as an electrolyte additive were evaluated with composition analysis. Thus 18650-type battery cells equipped with electrolytes (1.0 mol/L LiPF6 in ethylmethyl carbonate (EMC) and ethylene carbonate (EC)) with or without TiPBx were prepared and the charge-discharge tests were conducted. In fact the cell with TiPBx showed the long-life time as compared with no TiPBx where the decrease in discharged capacity was constricted. Therefore the electrolyte solutions were extracted from cycled cells and their solution compositions were detected by nuclear magnetic resonance (NMR) techniques so as to examine the impact of charge-discharge cycles and the presence of TiPBx. The electrolyte compositions analyses with 1H- and 13C-NMR indicated that composition transformations were observed after 1000 cycles without TiPBx. In particular the ester exchange reaction of EMC took place to form diethyl and dimethyl carbonates respectively. 2D HMQC NMR indicated that the ester exchange reaction of EC was also detected to afford linear polycarbonates. On the other hand, the electrolyte composition after 1000 cycles with TiPBx has almost been kept as compared with the initial composition since the ester exchange reactions were suppressed. These indicated that TiPBx prevented the ester exchange reactions giving rise to constricting the decrease in discharge capacity. We will discuss relations of the reaction mechanism of the electrolyte with the degradation of the battery performance.
[1] D. Aurbach, K. Gamolsky, B. Markovsky, Y. Gofer, M. Schmidt and U. Heider, Electrochimica Acta., 47, 1423 (2002).
[2] H.Horino, H. Tamada, A. Kishimoto, J.Kaneko, Y. Iriyama, Y. Tanaka and T. Fujinami, J. Electrochem., Soc., 157 (6) A677 (2010).
[3] K.Xu and C.A.Angell, Electrochem. Solid-State Lett., 4, E1 (2001).
[4] K. Amine, J.Liu, S.Kang, I.Belharouak, Y, Hyung, D. Vissers and G.Henriksen, J. Power Sources., 129, 14 (2004).
Exploration of Electrolytes for High Voltage Substituted Lithium Cobalt Phosphate Cathode Materia
Authors: Delp Samuel A. , Allen Jan L. , Jow T Richard 
Published: February 2020

Next generation lithium ion batteries need higher energy density to displace the current technology, which operate around 4 V. Higher energy density can be achieved by increasing the specific capacity and/or the working voltage of the cathode active material. One such possibility is LiCoPO4 (LCP) which theoretically delivers 167 mAh g-1 at 4.8 V. Unfortunately, LCP undergoes rapid capacity fading in its pure form. The introduction of small quantities of dopants to create a substituted-LCP has greatly increased the cycle life over pure LCP [1].
With the development of new high voltage cathode materials such as LCP comes the need for electrolytes that will enable their implementation. Current state of the art (SOA) LiPF6/carbonate based electrolytes are only stable up to ~4.5 V. Two strategies used to increase the electrochemical window of electrolytes include using different solvents such as fluorinated solvents that are stable to higher voltages or using sacrificial additives that undergo reduction/oxidation reactions before the bulk electrolyte does. The latter approach was explored in a recent study using 4.7 V LiNi0.5Mn1.5O4 (LNMO) spinel [2]. Vinylene carbonate (VC), a common additive for SEI formation, did not work with LNMO/graphite cells due to the fact that VC oxidizes at a much lower potential than the bulk electrolyte but at a higher potential than SOA cathode materials (>4.2 V) as shown by cyclic voltammetry on glassy carbon electrodes. The oxidation of VC at the cathode prevents its incorporation into the anode SEI layer. Another additive, tris(trimethylsilyl) phosphate showed a similar reduction behavior to VC but was more oxidatively stable. This showed the importance of not only the oxidation stability but also the reduction stability that are both necessary for future electrolytes. The oxidation and reduction stabilities of electrolytes with different additives and combinations of additives using LCP cathode material will be reported.

References

[1] J. L. Allen, J. L. Allen, T. Thompson, S. A. Delp, J. Wolfenstine, T. R. Jow, J. Power Sources, 327, 229 (2016).
[2] S. A. Delp, O. Borodin, M. Olguin, C. G. Eisner, J. L. Allen, T. R. Jow, Electrochimica Acta, 209, 498 (2016).
Ab-Initio Study of Li-Ion Electrolyte Li2(OH)Cl
Authors: Howard Jason David , Hood Zachary D. , Holzwarth Natalie A. W. 
Published: February 2020

The material Li2(OH)Cl is experimentally found to exist in two phases, a poor Li-ion conducting orthorhombic phase (T<312K) and a fast Li-ion conducting disordered cubic phase (T>312K). Recently experiments report the high temperature phase cycled in a symmetric cell with lithium electrodes with the apparent creation of a stabilizing solid electrolyte interphase layer[1]. Li2(OH)Cl is related to a variety of other materials that have been studied for their Li-ion electrolyte properties, Li2+x(OH1-x)Cl, Li2(OH)Br, and Li2(OH)1-xFxCl.[2][3]

We report the results of a combined computational and experimental study of the structural and ion migration properties of this material as a function of temperature. Using first principles methods to calculate the idealized static structures together with estimations of the phonon free energies in the quasi-harmonic approximation, the simulations predict several phases at low temperature including tetragonal and orthorhombic structures. The predicted orthorhombic phases are similar to experimental X-ray analysis performed at temperatures 15 K < T < 300 K as well as with literature reports,[1][2] while the tetragonal phase may be difficult to experimentally realize. Additionally, the disordered cubic phase was investigated using first-principles molecular dynamics to determine the lithium tracer diffusion and several order parameters in the temperature range of ~350-650 K.

[1] Hood, Z. D., Wang, H., Pandian , A. S., Keum, J. K. and Liang, C. J. Am. Chem. Soc. 138 1768-1771 (2016).

[2] Schwering G., Hönnerscheid, A., van Wüllen, L., and Jansen, M.,
CHEMPHYSCHEM, 4, 343-348 (2003).

[3] Li, Y., Zhou, W., Xin, S., Li, S., Zhu, J., Lü, X., Cui, Z., Jia, Q., Zhou, J., Zhao, Y., Goodenough, J.B.,. Angewandte Chemie International Edition, 9965–9968 (2016).
Acknowledgements:
Jason Howard was supported by NSF grant DMR-1507942. Computations were performed on
the Wake Forest University DEAC cluster, a centrally managed resource with support provided in part by the University. A portion of this research was supported by the Center for Nanophase Materials Sciences at Oak Ridge National Laboratory, which is a U.S. Department of Energy (DOE) Office of Science User Facility. Zachary Hood was supported by a Graduate Research Fellowship award from the National Science Foundation (DGE-1148903) and the Georgia Tech-ORNL Fellowship.
Impact of the Surface on the Delithiation Mechanism of LiNi0.8Co0.15Al0.05O2 positive Electrodes for Li-Ion Batteries
Authors: Grenier Antonin , Liu Hao , Wiaderek Kamila M , Borkiewicz Olaf J , Chupas Peter J , Chapman Karena W 
Published: February 2020

The occurrence of an apparent two-phase delithiation mechanism reported for LiNi0.8Co0.15Al0.05O2 (NCA)1 is not intrinsic to the material but is due to a surface layer.
Ni-rich layered oxides like NCA are the most important class of positive electrodes for high-energy-density Li-ion batteries. These materials react with H2O and CO2 from air to form surface layers mainly composed of Li2CO3
2–5. The presence of such a surface layer is deleterious to the electrochemical performance of this class of material. We show, using in-situ synchrotron X-ray diffraction measurements, that this surface layer also induces the presence of a second phase during the 1st electrochemical delithiation. Such a mechanism is however not intrinsic to NCA. Indeed, a sample stored and handled in an argon atmosphere presents a typical solid solution behavior, as expected for this class of material.
1. R. Robert, C. Bunzli, E. J. Berg and P. Novák, Chem. Mater., 2015, 27, 526–536.
2. H. Liu, Y. Yang and J. Zhang, J. Power Sources, 2006, 162, 644–650.
3. G. V. Zhuang, G. Chen, J. Shim, X. Song, P. N. Ross and T. J. Richardson, J. Power Sources, 2004, 134, 293–297.
4. H. S. Liu, Z. R. Zhang, Z. L. Gong and Y. Yang, Electrochem. Solid-State Lett., 2004, 7, A190–A193.
5. K. Matsumoto, R. Kuzuo, K. Takeya and A. Yamanaka, J. Power Sources, 1999, 81–82, 558–561.

Figure 1
Virtual Design of Thick Electrodes for Li-Ion Batteries
Authors: Danner Timo , Hein Simon , Westhoff Daniel , Haselrieder Wolfgang , Schmidt Volker , Kwade Arno , Latz Arnulf 
Published: February 2020

Li-Ion batteries are commonly used in portable electronic devices due to their outstanding energy and power density. A remaining issue which hinders the breakthrough e.g. in the automotive sector is the high production cost. Going ‘giga’ is one approach currently pursued but requires large investments. Recently, battery concepts with thick electrodes were presented as attractive alternative1. Batteries with thicker electrodes provide higher theoretical energy densities with only a few electrode layers which reduces production time and cost2.
In our contribution we present 3D micro-structure resolved simulations of thick (electrodes > 300µm) Graphite-NMC batteries based on our thermodynamically consistent simulation framework BEST3. The parametrization and validation of our model is presented in a recent publication4 and simulation results agree favourably with experimental data2. As a major problem we identified transport limitations in the electrolyte at comparatively small C-rates2,4. Novel design and operation strategies of the battery and its components are needed to mitigate this issue. In this presentation we will focus on our on-going electrode design studies. Two different design concepts using laser perforation and/or porosity gradients were evaluated regarding their performance at high C-rates. Therefore, multiple realizations of electrode structures were generated with a stochastic 3D geometry generator5. The structures and corresponding electrochemical simulations were validated against tomography and experimental data of model electrodes. The virtual screening of different configurations provides material-structure-function relationships which are a helpful tool for the processing of thick electrodes on larger scales.
1. Hopkins, B. J. et al, Component-cost and performance based comparison of flow and static batteries. J. Power Sources
293, 1032–1038 (2015).
2. Singh, M. et al, Thick Electrodes for High Energy Lithium Ion Batteries. J. Electrochem. Soc.
162, A1196–A1201 (2015).
3. Latz, A. et al, Multiscale modeling of lithium ion batteries: thermal aspects. Beilstein J. Nanotechnol.
6, 987–1007 (2015).
4. Danner, T. et al. Thick electrodes for Li-ion batteries: A model based analysis. J. Power Sources
334, 191–201 (2016).
5. Westhoff, D. et al. Parametric stochastic 3D model for the microstructure of anodes in lithium-ion power cells. Comput. Mater. Sci.
126, 453–467 (2017).

Figure 1
Fabrication of Green Light-Emitting Diode Using N-in2O3 nanorods Formed on Surface Modified P-GaN Template
Authors: Shin Dong Su , Kim Taek Gon , Heo Dongwook , Yoon Hahnjoo , Park Jinsub 
Published: February 2020

The metal-oxide (MO) nano-materials with wide energy band gap are promising candidates for versatile research fields such as transparent electrode, light emitters, full-color display, sensors, etc, due to their unique semiconducting properties. Especially, various nanostructures of MO have great advantages to realize the high efficiency optoelectronic devices by modification of surface and light guiding effects. Recently, more assertive efforts to use MO nanomaterials as for various nano-hybrid LEDs combined with MO nanostructures have been performed using p-GaN templates. In this study, we demonstrate the green light-emitting diodes (LEDs) using n-In2O3 nanorods(NRs)/p-GaN pn junction with an insertion of Ga2O3 interfacial layer formed on p-GaN surface by O2 plasma treatment. The X-ray photoelectron spectroscopy patterns clearly show the formation of thin Ga2O3 on p-GaN surface by O2 plasma treatment. The In(OH)3 NRs are uniformly grown on surface treated p-GaN by using hydrothermal method, which were finally converted to In2O3 NRs by calcination process. The electroluminescence of fabricated LEDs using n-In2O3/ Ga2O3/p-GaN heterojunction shows the green emission (λ ~ 554 nm) at forward bias condition. As a possible light emission mechanism from our suggested structures, the various defects energy states mediated green emissions were considered.
The Effect of Electron and Hole Transfer Layers on the Electro-Optical Properties of Solution-Processed QD-LED
Authors: Choi Woon-Seop 
Published: February 2020

Colloidal quantum-dots-based light emitting diodes (QD-LEDs) have been considered attractive display devices because of the remarkable electrical/optical characteristics of colloidal quantum dots. QD-LEDs have attracted particular interest not only because of their wide-range color tunability, high brightness and good color purity by the narrow emission bandwidth, but also because of their printability with a large size under atmospheric pressure.Nevertheless, achieving optimal control of charge transport/light emission and forming the necessary multilayer device structures is still a major challenge. The hole transport layer (HTL) and electron transport layer (ETL) thickness should be optimized to confine the electron and holes to the recombination zone in an emitting material layer (EML), i.e., the QD layer. For all-solution-processed QD-LEDs, inorganic and organic layers as the ETL and HTL were employed and optimized to achieve improved electroluminescence performances. Red QDs in the core/shell/shell type multi-structure, ZnO nanoparticles, and TiO2 were synthesized using the procedures reported elsewhere. The QD-LEDs were fabricated on patterned ITO glass. As a hole transfer layer, a PEDOT:PSS solution was spin coated. The organic hole transport layer, PVK, was coated on the PEDOT:PSS layer at a different rates to obtain a range of thicknesses. The CdSe/CdS/ZnS QDs (20 mg/mL) were spin coated. On the QD layers, various concentrations of ZnO NPs or TiO2 layers were spin-coated. Finally, 100 nm aluminum, as a cathode layer, was deposited on the ZnO NPs layer by vacuum evaporation
As electron charge transport layers and hole charge transport layer, zinc oxide nanoparticles and polyvinyl carvazole (PVK) were applied to all solution-processed quantum dot light emitting diodes. The quantum dot as the emitting layer, and the zinc oxide nanoparticles and titanium oxide, as the carrier transporting layers were synthesized using a solution mediated process. The optimized device using 45 nm zinc oxide nanoparticles as the electron transport layer and 18 nm PVK as the hole transport layer showed a lower turn-on voltage and better luminescence, resulting in a luminance of 13,730 cd/m2, current efficiency of 3.27 cd/A, and EQE of 2.67%.
Synthesis, Structure and Luminescence of Dy Doped Na0.25K0.25Bi0.5TiO3
Authors: Medic Mina , Đačanin Far Ljubica , Papan Jelena , Đorđević Vesna , Dramicanin Miroslav 
Published: February 2020

Bismuth sodium titanate (NBT) is one of the most promising lead-free piezoelectric material suitable to replace widely used lead-based piezoelectric materials. With general formula A+
0.5Bi3+
0.5Ti4+O3, where A = Na+ or K+, perovskite structure can crystallise in rhombohedral, cubic or tetragonal phase, depending on temperature and type (content) of monovalent cation. Doping this material with optically active ions, such as Dy3+, provides a new phosphor material with potentially interesting combination of piezoelectric and luminescence properties.
In this work we demonstrate the preparation of Na0.25K0.25Bi0.48Dy0.02TiO3 powder material. The material was synthesized via solid-state reaction by using TiO2, Bi2O3, Na2CO3, K2CO3 and Dy2O3 as precursor materials. These powders were ball milled in ethanol for 12 h, then dried and calcined at 850°C for 2 h. Subsequently, obtained powder was additionally milled in ethanol for additional 12 h, and finally sintered at 850°C for 4 h. Structural analysis was done by X-ray diffraction and showed tetragonal P4bm structure without impurities. Optical characterization including photoluminescence excitation and emission spectra and diffuse reflection measurements were performed. Emission spectra showed characteristic bands of Dy3+ ions with pronounced emissions originating from f–f electronic transitions. A dominant band in the blue region with maximum at around 477 nm originates from magnetic-dipole 4F9/2→6H15/2 transition, and another in the yellow region with maximum at around 574 nm originates from electric-dipole 4F9/2→6H13/2 transition. A small intensity higher energy band cantered at around 457 nm originates from 4I15/2→ 6H15/2 transition provides the possibility to use this type of emitting material as temperature sensor using the LIR method.
Impact of Processing on Photoluminescence Properties of 4H-SiC for Potential Qubit Applications
Authors: Pavunny Shojan Pullockaran , Banks Hunter , Klein Paul , Daniels Kevin , DeJarld Matthew T , Glaser Evan , Carter Sam G , Myers-Ward Rachael L. , Gaskill Kurt 
Published: February 2020

Single silicon vacancies VSi
in silicon carbide nanostructures hold great promise for future technological applications in scalable quantum computing and information processing for simulation, sensing, and communication. These defects are typically created by ion implantation or neutron/electron irradiation. Identification of these defects, knowledge of their characteristics, control of their concentrations, isolation of single spin defects and understanding the effects of semiconductor processing on their properties are crucial to the applications of SiC in quantum electronic and integrated photonic devices. These vacancies embedded in photonic crystal cavities (PCC) have the capability of high efficiency emission of single photons which can significantly improve the performance of on-chip photonic networks and long-distance quantum communication systems, as compared to conventional solid-state emitters. Here we investigate the impact of processing on the photoluminescence properties of PCCs fabricated using three approaches: hydrogen implantation to form thin SiC layers on an oxide layer that can be easily etched away to form an air gap under the PCC, wafer bonding and mechanical thinning of the SiC, also on an oxide layer, and selective photo-electrochemical etching of an n-p epitaxial SiC structure to form an air gap. We also assess the impact of electron irradiation for these three fabrication approaches.
Biosensor Experiments in Undergraduate Laboratories
Authors: Suroviec Alice H 
Published: February 2020

This talk will describe a junior/senior level undergraduate laboratory for analytical or physical chemistry that can be used to demonstrate the use of self-assembled monolayers (SAM) to produce biosensors. The laboratory has the students form SAMs on the surface of the electrode and then examine how they pack onto a surface. The laboratory experiment will also introduce students to electrochemical techniques, instrumentation and surface analysis techniques. This experiment uses both chronocoulometry to determine the surface area of an electrode as well as using reductive desorption to determine the surface coverage and packing of the SAM. Use of these SAM modified electrodes as biosenors is also discussed.