bluuebunny/crossref_metadata_2025_split huggingface dataset:
(Invited) Opportunities and Challenges for in-Situ Synchrotron Characterization of All Solid State Batteries
Authors: Hatzell Kelsey B. , Dixit Marm 
Published: February 2020

The increasing demand for portable electronics, stationary storage, and electric vehicles is driving innovation in high-energy density batteries. Solid electrolytes that are strong enough to impede lithium dendrite growth may enable energy dense lithium metal anodes. Currently, the power densities of all-solid state batteries is limited because of ineffective ion transport and chemical and physical decomposition at solid|solid interfaces. Solid electrolytes consist of both intrinsic interfaces formed by grains, vacancies, and material junctions and extrinsic interfaces formed at solid|solid interfaces. The former involves transport between two ion conducting phases, and the latter involves ionic transport between an ion conducting phase and a mixed ion and electron conducting phase. The nature of ionic transport at intrinsic and extrinsic interfaces is important for mitigating chemical and structural instabilities. Extrinsic interface instabilities are responsible for high interfacial resistances. Examples of extrinsic interface instabilities include: (1) chemical decomposition and the formation of a solid electrolyte interphase at the electrode|electrolyte interface, (2) regions of excess and deficient lithium content, and (3) poor or delaminating-type contact at the interface which can contribute to non-uniform current distributions and localized degradation. In order to displace liquid electrolytes, new materials and engineering strategies need to be developed to negate these degradation pathways. New insight into the governing physics that occurs at these interfaces are critical for developing engineering strategies for the next generation of energy dense batteries [1,2]. However, buried solid|solid interfaces are notoriously difficult to observe with traditional bench-top and lab-scale experiments. In this talk I discuss opportunities for tracking phenomena and mechanisms in all solid state batteries in-situ using advanced synchrotron techniques. Synchrotron techniques that combine reciprocal and real space techniques are best equipped to track relevant phenomena with adequate spatial and temporal resolutions.
[1] Shen, Fengyu, Marm B. Dixit, Xianghui Xiao, and Kelsey B. Hatzell. "Effect of pore connectivity on Li dendrite propagation within LLZO electrolytes observed with synchrotron X-ray tomography." ACS Energy Letters 3, no. 4 (2018): 1056-1061.
[2] Dixit, Marm B., Matthew Regala, Fengyu Shen, Xianghui Xiao, and Kelsey B. Hatzell. "Tortuosity Effects in Garnet-Type Li7La3Zr2O12 Solid Electrolytes." ACS applied materials & interfaces 11, no. 2 (2018): 2022-2030.
Mesoscale Chemomechanical Interplay of the LiNi0.8Co0.15Al0.05O2 Cathode in Solid-State Polymer Batteries
Authors: Besli Muenir Mustafa , Kuppan Saravanan , Metzger Michael , Shukla Alpesh Khushalchand , Christensen Jake , Doeff Marca , Liu Yijin 
Published: February 2020

Presently, the challenges faced by batteries are twofold. Firstly, they are expected to possess high energy and power density for powering zero emission electric vehicles. Secondly, they are also expected to be inexpensive and safe for deployment in electric vehicles and consumer applications. A potential candidate ideally suited for this case are solid-state polymer lithium-ion batteries coupled with layered nickel-rich oxides such as LiNi0.8Co0.15Al0.05O2 (NCA) or LiNi1−x−yCoxMnyO2 (NCM). Replacing the non-aqueous, liquid electrolytic solution that is comprised of flammable components, with a solid-state electrolyte such as an inexpensive polymer is highly advantageous. However, layered nickel-rich oxides such as NCA are not only known for their high reversible capacity, but also their inherent structural and thermal instability at charged state, which leads to several degradation mechanisms including intergranular cracking. While this phenomenon has been studied extensively for lithium-ion batteries consisting of a non-aqueous, liquid electrolyte, it has not been studied for solid polymer batteries.
Secondary NCA particles harvested from cycled NCA-poly(ethylene oxide) batteries were subjected to a combination of two- and three-dimensional full-field transmission X-ray microscopy (2D/3D-FF-TXM) and high resolution broad ion beam- and focuses ion beam milling-scanning electron microscopy (BIB-/FIB-SEM). Doing so, the complex chemomechanical interplay within the hierarchically structured lithium-ion battery was investigated to reveal morphological defects and chemical heterogeneity in the secondary particles. Intergranular cracking was found to be extremely apparent after only a few cycles. It was found, that the absence of liquid electrolyte severely affects transport in fractured particles and may also hastens and accelerates fracture due to lower uniformity in current density. Intergranular cracks significantly increase diffusion path lengths of both charge carriers, electrons and lithium ions. While in liquid lithium-ion batteries, electrolyte filling the cracks should maintain lithium ion transport pathways but not electron transport pathways, in solid-state batteries, intergranular cracking compromises not only the electronic pathways, but also the ionic pathways. Eventually, intergranular cracking in polymer batteries seems to lead to isolated and inactivated primary grains within the core of secondary particles.

Figure 1
Role of Alloying Elements on the Secondary Passivation of Ni-Cr Based Alloys
Authors: Ter-Ovanessian Benoît , Zhang Zhiheng , Marcelin Sabrina , Normand Bernard 
Published: February 2020

At high anodic potentials, two phenomena may generally occur on the surface of a passivated electrode: the oxygen evolution and the transpassive dissolution (at grain boundaries or generalized). For some materials, this anodic dissolution is postponed by the structural or chemical modification of the passive film. This phenomenon is characterized by a second plateau on anodic polarization curves. This latter informs about a limited further dissolution. This feature is commonly called the secondary passivation.
Generally, it is assumed that the passive film grown on Ni-Cr based alloys is mainly composed of chromium (Ⅲ) oxide. However, in certain circumstances, the formation of oxide with higher valence of chromium is related to the secondary passivation. It is of interest to investigate the role of alloying elements in the process of the secondary passivation to solve industrial applications or alloys design issues.
The aim of the present work is to study the electrochemical behaviour, especially the secondary passivation behaviour, of different Ni-Cr based alloys and pure Cr. This was mainly achieved by using successive electrochemical impedance spectroscopy (EIS) measurements. After 24h of immersion in borate buffer solution, EIS diagrams for different samples were successively recorded at different potentials from cathodic to anodic direction on a wide potential range. The step-by-step polarization curves (potentiostatic polarization) obtained from successive electrochemical impedance measurements was used as a complementary method to conventional polarization curves.
Besides, each impedance diagram was firstly analysed by enhanced graphical representation and complex capacitance representation to assess electrolyte resistance, constant phase element (CPE) parameters (α and Q), capacitance and thickness of the passive film. Since in most of the cases the CPE behavior observed for passive films could be attributed to a distribution of the resistivity through the film thickness. The power law model was used to adjust the experimental impedance diagrams. This model allows to study the trend of the resistivity profiles within the passive film as a function of the potential. Thus, the variation of the determined parameters related to the potential was presented for the different alloys. The use of this analytical approach in the secondary passivation domain was discussed.
To conclude, the role of the alloying elements on the process of the secondary passivation and especially on the chemical composition of the passive film was discussed.
Passivation Behavior of Friction Stir Welded 304L SS in Thin Layer Electrolyte
Authors: Kundu Arnab , Korjenic Alen , Raja Krishnan S. , Charit Indrajit , Jana Saumyadeep , Darsell Jens 
Published: February 2020

Friction stir welding (FSW) is being considered as a potential repair welding technique for nuclear spent fuel dry storage canisters. The heat affected zones (HAZ) of the fusion welded regions of the canisters become prone to stress corrosion cracking (SCC) due to chlorides in the environment. Pitting corrosion is usually observed in the welded regions which is the precursor for SCC. The goal of the present work is to understand the effect of chloride on the atmospheric corrosion behavior of FSW 304L stainless steel. A simulated crack was introduced into hot rolled and annealed 304L plates by electric discharge machining, and FSW was performed at two different temperatures, 725 and 825 °C in order to repair the simulated crack. Figure 1(a)-(c) shows the optical images of the 825 °C FSWed 304L alloy.
Electrochemical corrosion tests are being performed on FSWed 304L alloy in 3.5 wt% NaCl aqueous solution at 20 OC as a thin-layer electrolyte. A comparison will be made between the corrosion behaviors of the base metal, HAZ region and the weld nugget region for both FSWed specimen types. The electrochemical tests are carried out in an in-house designed electrochemical cell with less than 10 ml of electrolyte and variable electrolyte thicknesses in the range of 0.5 – 2 mm. Open circuit potential, cyclic polarization and potentiostatic tests at different passivation potentials are being conducted to understand the pit initiation and growth events as a function of FSW microstructures. Electrochemical impedance spectroscopy and Mott-Schottky analysis are carried out to understand the semiconducting properties of the passive film and their correlation with the passive film breakdown. This presentation will discuss the effect of FSW microstructures on the passivity breakdown in thin electrolytes containing chloride ions, and the results will be compared with that of tests conducted in the conventional bulk electrolyte arrangement.

Figure 1
Corrosion Potential Measurement to Investigate Copper Dissolution in Simulated Pore Environment on Ant Nest Corrosion
Authors: Honda Keisuke , Hoshi Yoshinao , Shitanda Isao , Itagaki Masayuki , Kumagai Kengo , Ito Shinnichi , Hosogi Tetsuro 
Published: February 2020

Refrigerant leakage due to the occurrence of formicary corrosion, also called ant nest corrosion, has been serious problem in copper piping used for the heat exchangers 1, 2). Because the ant nest corrosion begins at small pit and progresses rapidly in the depth direction, it is difficult to detect the occurrence of the ant nest corrosion. Notoya 2) reported that the progress of the ant nest corrosion in the depth direction was related to the repetition of the proportional reaction composed of copper and divalent carboxylic acid copper complex. In the present study, the corrosion potential measurement was performed to investigate the influence of proportional reaction composed of copper and divalent copper ions on the progress of the ant nest corrosion.
A silicon sheet and two copper plates were used to simulate the pore environment on the ant nest corrosion. The small hole was drilled on the silicon sheet and copper plates. The diameter of the holes was 1 mm. The silicon sheet was sandwiched between copper plates, and the small hole penetrated into the silicon sheet and coper plates. This hole, which simulates the pore on ant nest corrosion, was filled with an aqueous solution of 100 ppm formic acid. In this case, the upper and lower copper plates were defined as working electrode 1 and 2 (WE1 and WE2), respectively. The corrosion potential measurement of the WE2 was carried out during the galvanostatic polarization of the WE1. A phosphor-deoxidized copper plates were used as the WE1 and WE2, and the electrochemical measurement was performed by a four-electrode system using a dual potentiostat.
The corrosion potential of the WE2 was measured during the applying the constant current of 20 μA to the WE1. The corrosion potential of WE2 was shifted to noble potential because of the dissolution of the divalent copper ions on the WE1. This implies that the cathodic reaction rate of WE2 was increased due to the increase of the divalent copper ions concentration near the electrode interface of WE2, leading to the repetition of the proportional reaction composed of copper and divalent copper ions.
References:
[1] S. Yamauchi, K. Nagata, S. Sato, M. Shimono, Sumitomo light metal technical reports, 52, 1-7 (1984).
[2] T. Notoya, T. Hamamoto, K. Kawano, Sumitomo light metal technical reports, 30, 123-128 (1989).
Meso-Structure Controlled Synthesis of Sodium Iron-Manganese Oxides for Na-Ion Batteries
Authors: Hirsh Hayley S , Zhang Minghao , Chung Hyeseung , Li Yixuan , Meng Ying Shirley 
Published: February 2020

Increasing deployment of large scale electric storage applications would benefit from the development of inexpensive batteries. Na-ion batteries (NIBs) are of great interest since their cathodes can be made from inexpensive and abundant materials such as sodium, iron, and manganese. However, existing iron and manganese oxide cathodes lack the electrochemical performance, including capacity retention, required for these NIB applications and significant improvement is needed.
Prior work on lithium ion battery cathodes demonstrates that meso-structured materials can improve electrochemical performance for batteries. Incorporating spherical meso-structured materials in lithium ion battery cathodes was shown to improve capacity retention. To emulate this approach in NIB cathode materials, a synthesis method for producing pure phase spherical meso-structured sodium iron manganese oxide is first needed. No literature has been found that describes a method for this synthesis. Key synthesis parameters to be controlled include the choice of method, material precursors, pH of reaction, calcination time, and cooling rate.
In this work we demonstrate a modified co-precipitation method to synthesize spherical meso-structure pure phase P2-Na0.67Fe1/4Mn3/4O2 (see Figure 1) and we report initial characterization of the electrochemical performance of this material. The key parameter found to control the formation of a spherical meso-structure is the cooling rate applied during synthesis. The slow cooled material forms spherical meso-structures while the quenched material has no ordered meso-structure. Additionally, the spherical meso-structured material shows increased capacity, improved cyclability, and reduced polarization. The electrochemical performance enhancement is attributed to higher surface area, reduced surface concentration of sodium carbonate, and lower internal resistance during cycling. Further exploring the synthesis and mechanisms of meso-structured materials offers a path for improving Na-ion battery cathodes.

Figure 1
Study of Redox and Pseudocapacitive Processes of K-Ion Storage Using New Transition Metal Oxides Derived from PBA Type-Materials
Authors: Guzmán Vargas Ariel , Vazquez Juvencio , Acevedo-Peña Prospero , Martínez Ortiz María de J. 
Published: February 2020

The fast growing use of natural energy sources such as solar and wind to generate electricity, requires the development of reliable, affordable, and efficient electric energy storage systems [1]. Thus, electrochemical capacitor systems can offer excellent devices showing high power (>10 kW kg-1), high rate capability and long cycle life (>1 000 000 cycles) [2]. Many kind of materials have been widely investigated as supercapacitor electrodes, such as carbon materials, graphene-based composites of metal hydroxides and metal oxides. In this work, new pseudocapacitive materials were obtained by thermal descomposition of cyanometalates (PBAs) obtained by precipitation over different carbon structures (graphene oxide, carbon nanotubes and mesoporous carbon). The materials were characterized using XRD, Raman, ATR-FTIR, SEM, TEM and XPS. Furthermore, the electrochemical performance of the materials was tested by cyclic voltammetry, step potential electrochemical spectroscopy, electrochemical impedance spectroscopy and charge-discharge curves at different current rates in 1 M KOH. These techniques were applied in order to understand the double layer and pseudocapacitive mechanism of K ion storage. The material formed in presence of graphene oxide exhibited the best electrochemical behavior, maintaining almost constant its initial capacitance after 500 cycles at 1 A g-1.
References
1. Yang, J. Zhang, M. C.W. Kintner-Meyer, X. Lu, D. Choi, J. P. Lemmon, J. Liu, Electrochemical Energy Storage for Green Grid. Chem. Rev., 2011, 111, 3577-3613.
2. S. Aric, P. Bruce, B. Scrosati, J.-M. Tarascon, W. V. Schalkwijk, Nanostructured materials for advanced energy conversion and storage devices. Nat. Mater., 2005, 4, 366 – 377.
Fundamental Chemistry behind Rechargeable Lithium Ion Batteries: An Ab Inito Study
Authors: Awasthi Shalini , Widanage Widanalage Dhammika 
Published: February 2020

In recent years, due to increase in global energy demand, developing energy storage systems with higher energy densities are an urgent need. Rechargeable Li-ion batteries (LIBs) emerge as an important power sources for energy storage device for portable electronics and are being continuously investigated and developed for use in automobile electric vehicles (EV). However, during the cycling of LIBs, due to the decomposition of electrolyte, a passivation layer called solid electrolyte interphase (SEI) is formed on electrode surface. Although, SEI formation is vital in LIBs for long term performance, it leads to irreversible loss of lithium and thus, storage capacity of battery. While several studies have been performed in the past few decades on SEI, it is difficult to control its formation and growth, as the chemical composition, and stability of SEI depend on a list of factors. These factors include the electrode material, electrolyte composition, electrochemical conditions, and cell temperature. The perfect SEI would be a fast forming, flexible, stable, and contains insoluble species with low electronic and high ionic conductivity. Thus, the formation of SEI and the electrochemical stability of SEI components should be a primary topic of investigation in future development of LIBs.
To understand the stability and chemistry of SEI layer, density function theory based molecular dynamics simulations were performed. We used metadynamics to understand various degradation pathways of electrolyte decomposition in LIBs in various reaction conditions as well as in presence of additives. Car-Parrinello molecular dynamics based simulations were performed to determine the solvation structure of Lithium ion in presence of additives. Fig (1) shows the structure of solvation shell of Lithium ion (Yellow color code) in Ethylene Carbonate (EC). EC molecules in the first solvation shell is shown by ball and stick model. For the purpose of clarity Hydrogen atoms are not shown in EC molecules. color code: Lithium-Yellow, Oxygen-Red, Carbon-Grey.

Figure 1
Nanostructured Cobalt Oxide Directly Grown on Carbon Cloth for High-Capacity Lithium-Ion Battery Electrodes
Authors: Yoon Hyunseok , Song Hee Jo , Kim Dong-Wan 
Published: February 2020

Nowadays, with the breakthrough development of various smart devices and electric vehicles that require a large power supply, rechargeable lithium-ion batteries are the most attractive energy storage system because of their high energy density and long lifetime by low self-discharge rate and no memory effect [1,2]. However, due to ever-increasing demands for rechargeable batteries with higher energy density, it is necessary to develop suitable electrode materials to satisfy the sufficient capacity and energy density required for large-scale energy storage systems [3]. As a commercial lithium-ion battery anode, graphite is widely used due to its low operating potential and high stability. However, it cannot fulfill the considerable demands of large-scale energy storage owing to its low practical capacity. As alternatives, transition metal (TM; Mn, Fe, Co and Ni) oxides have attracted great attention due to their high capacity. In this work, we develop the cobalt oxide (Co3O4) with attractively nanostructured architectures (nanowire, nanosheet) directly grown on carbon cloth substrate by a facile hydrothermal reaction followed by heat treatment process. For this, first, Co(NO3)2 and urea are dissolved in deionized water, and then carbon cloth is immersed in the solution. During the hydrothermal reaction, Co2(OH)2CO3·xH2O nanowires or Co2(OH)2CO3 nanosheets are grown on carbon cloth at 90 or 120 °C, respectively. After thermal treatment at 350 °C for 1 h in furnace, Co3O4 nanowires or nanosheets can be obtained. When tested as anodes for LIBs, as-fabricated electrodes without any conductive agents and polymeric binders exhibit high specific capacity because of their large specific surface area and enough space to buffer the volume change during conversion reaction. Therefore, it is considered that these high-performance electrodes can be used as high-capacity anodes for large-scale energy storage system.
References
[1] H. J. Song, D. S. Kim, J. C. Kim, S. H. Hong, D. W. Kim, J. Mater. Chem. A. 5 (2017) 5502–5510.
[2] Y. Yao, Y. Zhu, S. Zhao, J. Shen, X. Yang, C. Li, ACS Appl. Energy Mater. 1 (2018) 1239−1251.
[3] R. Hu, H. Zhang, Y. Bu, H. Zhang, B. Zhao, C. Yang, Electrochim. Acta 228 (2017) 241–250.
Parameters Identification of Solar Cell Batteries
Authors: Achaibou Nadia 
Published: February 2020

Photovoltaics and wind energy cause instability of power grid due to their out put fluctuations. Battery energy storage system (BESS) is the current and typical means of smoothing solar power generation fluctuations. This paper will initially present a review of the several battery models used for battery energy storage system applications. Models will be discussed which takes into account the non-linear characteristics of the battery with respect to the battery’s state of charge. We identified the parameters of solar cell batteries using the method “parameter estimation tool” of simulink library. The selected mathematical models are the Macomber model and Thevenin model. In order to validate models, a comparison between results gotten by calculation with those by experimental data found by testing these batteries under different constant currents has been undertaken. This method allows us to know and predict the behavior of the battery in the applications of photovoltaic solar energy.
We note easily that the correlation between measured data and those calculated by the Macomber and Thevenin models for ambient temperature of 25 °C is good and very encouraging, so these models have been chosen for the survey of photovoltaic system simulation.