bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Coupled Tank-in-Series Electrochemical Engineering and Thermal Model for Lithium Sulfur Batteries
Authors: Parke Caitlin D. , Subramaniam Akshay , Kolluri Suryanarayana , Pathak Manan , Subramanian Venkat R. 
Published: February 2020

Lithium sulfur (LiS) batteries are a promising option for next-generation energy storage due to their high energy density. Applications where weight is especially important like electric flight and electric vehicles have driven the study of this chemistry because lithium ion batteries are approaching their practical limits. For these applications, the demand for packing more energy into a battery can lead to higher resistive batteries. For lithium sulfur batteries in particular, the resistance is seen to increase with higher capacities per cell (1). As the required energy and subsequently battery packs increase, the importance of heat dissipation for safety and performance also grows, which requires an accurate thermal model for design and control.
Physics-based models enable a look into the internal states of the battery, which correspond to physical phenomena that can contribute to decreased performance under certain conditions. The mathematical model for lithium sulfur batteries developed by Kumaresan et al (2) was the first one-dimensional physics-based model for lithium sulfur batteries. This discharge model was developed with porous electrode theory and considers transport, kinetics, thermodynamics, and morphological changes. The LiS chemistry includes a reduction of solid sulfur to different order polysulfides and finally a precipitation of Li2S, which leads to complexity due to multiple charge carriers and dynamic electrode morphology. The corresponding physics-based model results in a numerically stiff set of equations with variables evolving across many orders of magnitude. To alleviate the computational footprint and still maintain a high degree of accuracy, we have previously developed a mass-conserving lumped model through volume-averaging, called the Lithium Sulfur Tank-in-Series Model. This model, with average quantities in each region, eliminates the spatial dependence for increased computational efficiency and fewer model parameters that expedites model use in estimation, control, and optimization.
In this work, the LiS tank-in-series model is coupled with a thermal model (3). The thermal model includes heat generation due to internal resistance and entropic contributions, and Stroe et al. used the thermal model predictions with a simple empirical model. Coupling the thermal model with a more accurate predictive model allows further insight into battery performance. The model predictions are compared with experimental data from 19.5 Ah pouch cells.

Acknowledgments

The authors are thankful for financial support from the Battery500 Consortium, BAE Systems, and the Joint Center for Aerospace Technology Innovation.

References

J. Offer and M. Wild, Lithium Sulfur Batteries, p. 149, John Wiley & Sons, New Jersey (2019).

Kumaresan, Y. Mikhaylik, and R. E. White, J. Electrochem. Soc., 155, A576 (2008).

I. Stroe, V. Knap, M. Swierczynski, and E. Schaltz, ECS Trans., 77, 467–476 (2017).
Lithium-Mediated Ammonia Synthesis from Water and Nitrogen Based on a Membrane-Free Immiscible Aqueous/Organic Hybrid Electrolyte System
Authors: Kim Kwiyong , Chen Yifu , Li Wenzhen 
Published: February 2020

Lithium-mediated pathway provides a promising way for facile and selective dissociation of nitrogen for ammonia synthesis [1,2]. However, the prevailing electro-deposition of lithium, especially when coupled to the anodic oxygen evolution from water or hydroxide, presents disadvantages including the use of expensive Li-ion conducting ceramics[3] or high temperature operation of molten salts[1]. Herein, we reported a membrane-free electrochemical system for Li deposition which relies on the immiscibility of aqueous/organic electrolytes and demonstrated the applicability of the biphasic system for the realization of Li-mediated ammonia synthesis. The behavior of this system is not different from a LISICON-based cell,[1] especially thanks to the stability of the biphasic system. Rather, this system requires lower cell voltage (5.3 V in this study vs. 6.2 V in LISICON-based cell[3] at 5 mA cm-2), even without the need of expensive membrane, rendering it more economically favorable. The fairly decent FE and NH3 synthesis rate (57.2 % and 1.21 × 10-9 mol cm-2s-1, respectively) have been realized merely using one hybrid model electrolytes system (LiClO4 and PC-H2O) without any optimization. Judicious selection of immiscible electrolytes with better biphasic stability, higher conductivity, higher stability against Li (lower SEI formation), and applicability to a continuous, integrated process will achieve further improvements in the novel Li-mediated NH3 synthesis approach.

References:

[1] J. M. McEnaney, A. R. Singh, J. A. Schwalbe, J. Kibsgaard, J. C. Lin, M. Cargnello, T. F. Jaramillo and J. K. Nørskov, Energy & Environmental Science, 2017, 10, 1621–1630.
[2] N. Lazouski, Z. J. Schiffer, K. Williams and K. Manthiram, Joule, 2019, 3, 1127–1139.
[3] K. Kim, S. J. Lee, D.-Y. Kim, C.-Y. Yoo, J. W. Choi, J.-N. Kim, Y. Woo, H. C. Yoon and J.-I. Han, ChemSusChem, 2018, 11, 120–124.
(Invited) Exploiting Surface Reactivity to Prepare Electrode Materials in a Single Step
Authors: Veith Gabriel M. , Armstrong Beth , Burdette Mary Kathyrn , Hoelzer David 
Published: February 2020

Crushing rock has been an effective approach to make tools and materials for thousands of years. In this presentation this approach will be expanded to making electrode materials with tailored surface functionalities that facilitate electrode formation, SEI formation, and lifetime. Specific examples will be given with respect to the functionalization of silicon anode materials and how this functionalization influences electrode formation processes.
Acknowledgement: This work was supported by the US Department of Energy’s Office of Energy Efficiency and Renewable Energy through the Vehicle Technology Office (Brian Cunningham Program Manager).
Investigating the Promise of Incorporating a Redox Mediator in Li–O2/CO2 batteries
Authors: Marques Mota Filipe , Byon Hye Ryung , KIM Dong Ha 
Published: February 2020

In recent years, continuous studies have highlighted the languished research state of Li–O2, and the impelling development of energy storage devices with analogously high theoretical energy density [1]. In preliminary studies, we established that fed O2 and CO2 mixtures (Li–O2/CO­2) swiftly shift the reaction mechanism toward an exclusive formation of Li2CO3 in a TEGDME-based electrolyte. The proposed O2-assisted pathway is initiated by an electron transfer from the cathode, with subsequent CO4
– formation and complete Li2O2 suppression. Compared with O2-driven counterparts, the CO2-based Li–air cell suffers, however, from higher overcharges during the decomposition of Li2CO3 at ~4.5 V, rendering impracticable a commercialization of these technologies [2]. Here we propose for the first time the incorporation of a redox mediator (RM) toward facile Li2CO3 oxidation in Li–O2/CO­2 devices. Lithium bromide (LiBr) possessing two redox couples (Br−/Br3
− and Br3
−/Br2) has gathered increasing attention in conventional Li–air cells and was considered a suitable candidate in this study. All galvanostatic measurements were carried out under 30% CO2. At optimized concentrations, hindered recharge potentials (~0.5 V) at similarly sustained cyclability were demonstrated. Further dissection of the significance of involved Br−/Br3
−/Br2 species inferred, however, an additional role of the RM in the stabilization of intermediate discharge species and in the undesirable formation of side-products. In this context, drawn conclusions reinforced the need to consider a deeper evaluation of the effects of a RM inclusion beyond an overcharge decrease and the urge to stabilize RM/RM+ species participating in deleterious side-reactions with neighboring species and cell components.

References

[1] Grande, E. Paillard, J. Hassoun, J.-B. Park, Y.-J. Lee, Y.-K. Sun, S. Passerini and B. Scrosati, Adv. Mater.
2015, 27, 784.
[2] Qiao, J. Yi, S. Guo, Y. Sun, S. Wu, X. Liu, S. Yang, P. Hec and H. Zhou, Energy Environ. Sci.
2018, 5, 1211.
Atomic Layer Deposition of Ultrathin Glassy Lithium Borate-Carbonate Solid Electrolytes
Authors: Kazyak Eric , Davis Andrew L. , Yu Seungho , Chen Kuan-Hung , Sanchez Adrian J. , Lasso Jose , Thompson Travis , Sakamoto Jeff , Siegel Donald J , Dasgupta Neil P. 
Published: February 2020

Solid state electrolytes could enable significant improvements in energy density, cycle life, and safety of next-generation battery chemistries. The ability to fabricate thin electrolyte films with high ionic conductivity and excellent stability on complex architectures has been a bottleneck to realizing a wide range of 3D structured thin film and bulk batteries. Recent progress in ALD for solid state electrolytes has shown great promise, and enabling even higher conductivities and stability with Li metal anodes could dramatically enhance the energy and power density of ALD-based batteries. In addition, ALD films with high conductivity and good stability could be used for interfacial engineering of bulk-type solid and liquid based batteries to improve stability and safety.
This work demonstrates a novel ALD process for glassy lithium borate-carbonate thin films with ionic conductivities above 10-6 S/cm at 298K. This represents a 6x improvement over the previous best reported value for an ALD solid electrolyte.1 The composition, structure, and stability of the films are characterized with X-ray photoelectron spectroscopy and a range of electrochemical measurements. These experiments are compared with those calculated with Density Functional Theory and Molecular Dynamics to elucidate the origins of the high ionic conductivity and excellent stability. The properties are studied as a function of deposition temperature showing tradeoffs between process conditions and performance, and demonstrating the precise control afforded by the ALD process.2 The optimized film remains an ionic conductor when in contact with metallic Li, with no measurable changes even over several weeks, and displays stable cycling when paired with a thin-film cathode and Li metal anode.

References

(1) Pearse, A. J.; Schmitt, T. E.; Fuller, E. J.; El-Gabaly, F.; Lin, C. F.; Gerasopoulos, K.; Kozen, A. C.; Talin, A. A.; Rubloff, G.; Gregorczyk, K. E.; Chem. Mater.
2017, 29, 3740–3753.
(2) Kazyak, E.; Chen, K. H.; Davis, A. L.; Yu, S.; Sanchez, A. J.; Lasso, J.; Bielinski, A. R.; Thompson, T.; Sakamoto, J.; Siegel, D. J.; Dasgupta, N. P.; J. Mater. Chem. A
2018, 6, 19425–19437.
Design of High Voltage All-Solid-State Batteries Based on Sulfide Electrolytes
Authors: Li Xin 
Published: February 2020

Ceramic sulfide solid-electrolytes are amongst the most promising materials for enabling solid-state lithium ion batteries. The ionic conductivities can meet or exceed liquid-electrolytes for such ceramic sulfides, however, there is a theoretical concern about the narrow electrochemical stability window of approximately 1.7-2.1 V vs Lithium metal. In addition, ceramic sulfides are frequently plagued by interfacial reactions when combined with common electrode active materials. In this talk, methods for the stabilization of both the bulk electrochemical decompositions and the interfacial reactions will be discussed. Solid-state cells stable up to 5V, including layered Li-Co-O and spinel Li-Mn-Ni-O, will be presented and the stabilization mechanisms will be discussed.
Ceramic sulfides are known substantially swell during electrochemical decay. Such swelling has been shown to provide a viable means by which to stabilize electrochemical decomposition in lithium ion batteries[1]. Evidence and theoretical understanding of stability window expansion as the result of mechanical constriction will be discussed for both Li10GeP2S12 and Li10SiP2S12 systems. Further discussion on the impact of interfaces will focus on our novel high-throughput computational schema[2], which has enabled the evaluation of nearly 70,000 material DFT calculation for interfacial chemical and electrochemical stability with Li10SiP2S12. These new computational methods found over 2,000 high-voltage coating materials that are electrochemically inert against Li10SiP2S12 at standard cathode voltages.
[1] Fan Wu, William Fitzhugh, Luhan Ye, Jiaxin Ning, Xin Li. Advanced Sulfide Solid Electrolyte by Core-Shell Structural Design. Nature Communications, (9), 4037 (2018).
[2] William Fitzhugh, Fan Wu, Wenye Deng, Pengfei Qi, Luhan Ye, Xin Li. A High-Throughput Search for Functionally Stable Interfaces in Sulfide Solid-State Lithium Ion Conductors. Advanced Energy Materials. In press.
(Battery Division Student Research Award sponsored by Mercedes-Benz Research & Development) Solution-processable closo-borate Electrolyte for all-solid-state Sodium–ion Batteries
Authors: Duchêne Léo , Kim Dong Hyeon , Moury Romain , Remhof Arndt , Hagemann Hans , Jung Yoon Seok , Battaglia Corsin 
Published: February 2020

All-solid-state batteries promise to simultaneously yield higher energy and power density, and improved safety as compared to state-of-the-art lithium-ion technologies based on organic liquid electrolytes. A competitive all-solid-state battery requires a solid-state electrolyte with high ionic conductivity near room temperature, combined with high thermal and electro-chemical stability as well as ease of processing into a device. Meeting these requirements simultaneously represents a major challenge.
Here we present a sodium-ion conductor in the closo-borate family, namely Na2(B12H12)0.5(B10H10)0.5, that simultaneously offers high sodium-ion conductivity of 0.9 mS/cm at 20 °C, excellent thermal stability up to 450 °C, and importantly a large electro-chemical stability window of 3 V including stability versus metallic sodium enabling the use of a sodium metal anode.[1-2] Using a solution-based impregnation method to create intimate contact between cathode material and solid-state electrolyte, we demonstrate that Na2(B12H12)0.5(B10H10)0.5, can be implemented in a 3 V all-solid-state sodium-ion battery consisting of a sodium metal anode and a NaCrO2 cathode. The cell shows high cycling stability and good rate performance with more than 85% capacity retention after 250 cycles at C/5. [3]
We further extend this approach to the use of slurry-based composite electrodes as used in conventional batteries.[4] We show that Na2(B12H12)0.5(B10H10)0.5 can be prepared and infiltrated in its highly conductive phase inside porous sheet-type electrodes using the appropriate solvent. The infiltrated electrodes can be cycled in all-solid-state half cells at room temperature with remarkable stability and rate capability. The method is demonstrated for both NaCrO2 cathode and Sn metal anodes including demonstration of operation in an all-solid-state full cell based on the closo-borate electrolyte.[4,5]
[1] L. Duchêne et al., Chem. Commun., 2017, 53, 4195.
[2] L. Duchêne et al., Chem. Mater., 2019, 10.1021/acs.chemmater.9b00610
[3] L. Duchêne et al., Energy Environ. Sci., 2017, 10, 2609
[4] D. H. Kim et al., Nano Lett. 2017, 17, 3013.
[5] L. Duchêne et al., submitted
Investigation of the Stabilization Mechanism of Air Stable n-Type Single-Walled Carbon Nanotubes Sheets Based on Adsorption Isotherm Measurements
Authors: Yamaguchi Ryohei , Nakashima Yuki , Fujigaya Tsuyohiko 
Published: February 2020

In spite of the remarkable growth of microelectronics such as wearable devices, remote sensors, etc. On the market in recent years, almost all of them are still powered by batteries that are required to be recharged or replaced at stated periods. If these electronic devices can run continuously for an extended time without any external interference, the benefits would be further enhanced. One such solution is to produce energy from the human body heat, where the thermoelectric (TE) generation mechanism is used to generate electricity from temperature difference. The principle behind TE generation is the Seebeck effect. It is a phenomenon to produce potential difference from the temperature difference between the ends of a TE generator. The efficiency of this TE conversion can be evaluated by the figure of merit, ZT = S2σT/κ, where S is the Seebeck coefficient, σ is the electrical conductivity, T is the absolute temperature, and κ is the thermal conductivity. TE generators with a high Seebeck coefficient, high electrical conductivity, and low thermal conductivity are expected to have good TE properties. To fabricate the TE devices, p- and n-type materials are necessary and the research of TE materials using inorganic semiconductors such as Bi2Te3 have been done for a long time as they illustrate high performance more than ZT = 1. However, these materials contain rare and toxic elements and they are difficult to process. Therefore, among the several candidates including conducting polymers, single-walled carbon nanotubes (SWNTs) are emerged as the promising candidate due to their non-toxicity, processability, remarkable electrical and thermal conductivity, potentially large Seebeck coefficient and light weight. However, due to air oxidation, SWNTs show only p-type semiconducting property in air. In the development of the SWNTs-based TE devices, instability of the n-type SWNTs has been a crucial issue, since n-type SWNT are easily oxidized due to an electrophilic chemisorption of oxygen on the charge polarization.1 Under such background, we have reported that air-stable n-type SWNTs can be formed by adsorbing 2-(2-methoxyphenyl)-1,3-dimethyl-2,3-dihydro-1H-benzo [d] imidazole (o-MeO-DMBI). However, the stabilization mechanism is not clear. herefore, in this research we studied the stabilization mechanism based on the adsorption isotherm measurements, where the SWNT sheets were dipped in the ethanol solution of o-MeO-DMBI in different concentrations at 25 ºC. From the adsorption isotherm, we revealed that SWNTs sheets adsorbed below monolayer of o-MeO-DMBI showed unstable in n-type, while SWNT sheets adsorption of o-MeO-DMBI showed stable n-type property over full coverage3.
1) Zhu, X.-Q.; Zhang, M.-T.; Yu, A.; Wang, C.-H.; Cheng, J.-P. J. Am. Chem. Soc. 2008, 130, 2501.
2) Nakashima, Y.; Nakashima, N.; Fujigaya, T. Synthetic. Metals. 2017, 76, 225.
3) Nakashima, Y.; Yamaguchi, R.; Fujigaya, T. submitted.
Real-Time Cross-Sectional Surface Observation of Brass to Investigate Dezincification Corrosion
Authors: Hoshi Yoshinao , Uchisawa Yukihiro , Nishihara Yoshihiro , Shitanda Isao , Itagaki Masayuki 
Published: February 2020

The dezincification corrosion of brass (Cu-Zn alloy) is a serious problem in the plumbing system because it may cause the leakage accident. When the dezincification corrosion occurs on the brass surface, a porous copper rich layer is formed on the brass surface due to the selective dissolution of zinc1,2. In order to understand the dissolution mechanisms, it is important to explore the relationship between the dissolution behavior of zinc and the growth of the copper rich layer. Our group3-5 developed the real-time surface observation system with channel flow double electrode to investigate localized corrosion of copper and magnesium. In the present study, a real-time cross-sectional surface observation system combined with electrochemical measurement was developed for the investigation of the dezincification corrosion of brass.
A video of the cross-sectional surface morphology of brass was taken by an optical microscope combined with a charge-coupled device (CCD) camera during the anodic polarization. The electrochemical cell was constructed using transparent acrylic plates. The electrochemical measurement was carried out by a three-electrode cell. The working electrode and the counter electrode were a brass plate and a platinum wire, respectively. A KCl-saturated silver/silver chloride electrode (SSE) was used as a reference electrode. The electrolyte solution was 0.5 M NaCl containing 5 mM NaHCO3 and kept at 60 oC. The surface of brass plate was covered with the transparent resin except the active surface area (0.393 cm2). The brass plate was fixed at wall surface to record the video of the active surface area.
The galvanostatic polarization was performed for 24 h to observe the dissolution behavior of brass. After 3 hours, the copper rich layer was formed on the brass surface due to the selective dissolution of zinc. The localized dissolution was observed after 6 hours, and the dissolution was then observed on the whole surface. The selective dissolution of zinc and simultaneous dissolution of zinc and copper from brass surface were discussed based on the video images and the potential changes of brass during the measurement.
References:
1) H.W. Pickering, C. Wagner, J. Electrochem. Soc., 7, 114 (1967).
2) Yoshinao Hoshi et al., J Solid State Electrochem, 19, 3551 (2015).
3) Yoshinao Hoshi et al., J. Electrochem. Soc., 164, C450 (2017).
4) Yoshinao Hoshi et al., Surf. Finish. Soc. Jpn., 69, 34 (2018).
5) Yoshinao Hoshi et al., J. Electrochem. Soc., 165, C243 (2018).
Cavitation Corrosion of Cast Al-Alloy in an Ethylene Glycol-Water Solution
Authors: Zhou Lin , Chen Zhenning , Wang Xindi , Shi Yanan , Yong Xingyue 
Published: February 2020

As a heat media, an ethylene glycol-water solution is widely used as a key component in a cooling liquid for the cooling systems of motors and electric equipment or devices. Therefore, cast Al alloy pumps are often used to circulate the ethylene glycol-water solution in the cooling systems. Thus, cast Al alloy are often subjected to cavitation corrosion.
In this study, the cavitation behaviors of cast Al alloy in an ethylene glycol-water solution were studied using the ultrasonic cavitation corrosion apparatus which was made in accordance with ASTM G32. Then, the electrochemical kinetic of cavitation corrosion and the chemical structures of the corroded surface were investigated with EIS in conjunction with XPS analysis. The results showed that the synergistic effect between electrochemical corrosion and cavitation resulted in the increment of the cumulative weight loss of cast Al-alloy in an ethylene glycol-water solution with cavitation time. The calculation of the impacting efficient for cathodic and anodic processes demonstrated that the cavitation corrosion of cast Al-alloy was controlled by anodic process. In this case, the polarization resistance increased with cavitation time. In a stagnant ethylene glycol-water solution, EIS spectra of cast Al-alloy consisted of a deformed capacitance loop, but it had two time constants based on the Bode plot. Under cavitation, its EIS spectra consisted of a capacitance loop at high frequency zone and an inductive loop at a low frequency zone. It was indicated that the cavitation corrosion mechanism of cast Al alloy in an ethylene glycol-water solution under cavitation was changed obviously. Under cavitation, corroded morphology became rougher with cavitation time and many of pits and cracks existed after cavitation. At the same time, the volume of Al and Si compounds decreased, and that Si compound decreased much more compared with Al(OH)3. At the same time, the volume of OH- increased with cavitation time. This was shown that cavitation accelerated Si compound to peel off from the substrate, resulting in the changes of both the morphology and the chemical structures of surface film under cavitation. Finally, the cavitation corrosion model was proposed based on the above studies.