bluuebunny/crossref_metadata_2025_split huggingface dataset:
An Aqueous Redox Flow Battery Using CO2 as an Active Material
Authors: Kanega Ryoichi , Yamamoto Akira , Yoshida Hisao , Sato Yukari , Ohira Akihiro 
Published: December 2024

H2 storage system utilizing the interconversion of CO2 and formate, named a chemical hydrogen battery, has been proposed. The system stores H2 via CO2 hydrogenation to produce formic acid (or formate) and releases H2 via formic acid (or formate) dehydrogenation. Beller et al. reported a catalytic system combining lysine with Mn based homogeneous catalysts and pincer ligands to achieve 10 charging-discharging cycles1. In the H2 release step, lysine acted as a base and trapped CO2, generating >99% pure H2. In addition, our research group developed Ir-based homogeneous catalysts that could drive a chemical hydrogen battery2. The Ir-based homogeneous catalyst enabled H2 storage under ambient conditions and produced 1 MPa of H2 in the H2 release step. However, in the chemical hydrogen battery, energy losses are inevitable in the conversion of electrical energy to H2 as chemical energy and H2 to electrical energy, resulting in a loss of more than half of the input electricity.
Thus, we considered that the significant energy loss could be overcome by directly storing and generating electrical energy without using H2. In this presentation, we introduce an aqueous redox flow battery in which the anolyte involves a CO2–formate redox pair based on homogeneous Ir catalysts, while the catholyte involves an MnII–MnIII redox pair. The system exhibited a maximum discharge capacity of 10.5 mAh (1.5 AhL-1), capacity decay of 0.2% per cycle, and total turnover number of 2550 after 50 cycles3. In the redox flow battery system, the formation of IrIV and high-valence hydride species, in contrast to the case of the chemical hydrogen battery, worked as active species and was supported by the in situ fluorescence Ir L
III-edge XAFS spectroscopic analysis using the newly constructed online setup.
References
[1] D. Wei, R. Sang, P. Sponholz, H. Junge, M. Beller, Nat. Energy,
2022
7, 438-447.
[2] N. Onishi, M. Iguchi, X. Yang, R. Kanega, H. Kawanami, Q. Xu, Y. Himeda, Adv. Energy Mater.
2019, 9, 1801275.
[3] R. Kanega, E. Ishida, T. Sakai, N. Onishi, A. Yamamoto, H. Yasumura, H. Yoshida, H. Kawanami, Y. Himeda, Y. Sato, A. Ohira, Angew. Chem. Int. Ed.,
2023, 62, e202310976.

Figure 1
In-Situ Observations of Li+ and Na+ Storage in Anodic Nanotubes
Authors: Kowalski Damian , Vincent Mewin , Sajeev Sandra 
Published: December 2024

Anodizing is a high-voltage electrochemical conversion process that forms barrier-type oxide layers or self-organized nanoporous/nanotubular structures. So far, the Al2O3-like nanopores and TiO2-like nanotubes could be successfully synthesized on many valve metals and alloys. Recently, it become possible to form nanotubular structures on iron and consequently control the ratio of hematite (Fe2O3) to magnetite (Fe3O4) by subsequent thermal treatment.1 Electrochemically active nanotubes, such as self-organized TiO2 are of high interest in the battery field due to a unique one-dimensional (1D) geometry offering high volume expansion tolerance and applications without binders and conductive additives. Herein, we report an in-situ Raman spectroscopy study under current control for a better fundamental understanding of Li+/Na+ storage in nanotubes and correlate the structural fingerprints with the electrochemical data on differential capacity plots of d(Q–Q
0) dE
–1.2 Real-time measurements revealed that the nanotubes had undergone two major phase transformations with increasing lithium content, disclosing the sequential steps of a lithium intercalation type of storage. In contrast, sodium-ion insertion induced no significant crystal structure modification but instead a slight crystallinity rupture, signifying a dominant nondiffusion-limited capacitive type of storage. The insight into the charge storage in a 1D material in relation to other nanostructures such as nanoparticles3 will be discussed.
References:

L. Fadillah, D. Kowalski, M. Vincent, C. Zhu, S. Kitano, Y. Aoki and H. Habazaki,
ACS Applied Materials & Interfaces
, 2023, 15, 52563-52570.

M. Vincent and D. Kowalski,
ACS Applied Nano Materials
, 2023, 6, 6528-6537.

M. Vincent, S. Sajeev and D. Kowalski,
Electrochimica Acta
, 2023, 469, 143161.

Figure 1. 3D in situ Raman spectroscopy patterns of Li-ion insertion to TiO2 nanotubular electrodes. The spectra were obtained under a GCPL protocol. Raman spectra were collected using a Thermo Scientific DXR3 Raman microscope fitted with a 532 nm laser equipped with an in-situ ECC-OPTO El-Cell.

Figure 1
Formation Behavior of Nanoholes in Porous Ga Oxide
Authors: Kondo Toshiaki 
Published: December 2024

Fabrication processes of porous Ga oxide have attracted attention due to its useful semiconductor properties of Ga oxide that allow completely decomposing water. The porous Ga oxide is expected to be applied to various energy conversion devices, such as hydrogen generation devices. The performance of the devices highly depends on their geometrical structures in addition to their semiconductor properties. Therefore, to improve the device performance, geometrical control of the porous Ga oxide is important. One of the fabrication processes of the porous Ga oxide is an anodization process. An advantageous point of the anodization process is the good controllability of the geometrical structures of the nanohole array. Until now, our group has reported the fabrication process of porous Ga oxide having an ideally ordered nanohole array structure by the anodization process utilizing a pretextureing process [1]. This pretexturing process had been originally proposed to fabricate an ideally ordered anodic porous alumina [2]. Prior to the anodization, an ideally ordered array of nanometer-sized concaves was formed onto the surface of Ga metal by the pretexturing process. During the anodization of the textured sample, the nanoholes preferentially grew from each concave, then, an ideally ordered nanohole array was obtained. However, the formation of straight nanoholes having a high aspect ratio was difficult although various anodizing conditions were considered. In the present research, the formation of a porous Ga oxide having a high aspect ratio was studied [3]. It was observed that the growth direction of nanoholes depends on the crystal orientation of Ga metal. The growth direction of the nanohole was almost coincident with the certain crystal axis of Ga metal when the anodizing voltage was low. The present fabrication process is expected to be applied to fabricate various energy conversion devices requiring a geometrically controlled porous Ga oxide, such as hydrogen generation devices.
[1] T. Kondo, Y. Kuroda, T. Shichijo, T. Yanagishita, H. Masuda, J. Vac. Sci. Technol. B, 40, 010603 (2022).
[2] H. Masuda, T. Yanagishita, T. Kondo: “Fabrication of Anodic Porous Alumina”, Encyclopedia of Interfacial Chemistry 1st Edition, Elsevier (2018).
[3] T. Kondo, Sci. Rep., 13, 12408 (2023).
Early Detection Strategies for Lithium-Ion Battery Safety in Electric Vehicles
Authors: Torres-Castro Loraine , Bates Alex Martin , Johnson Nathan Brenner , Quintana Genaro 
Published: December 2024

Lithium-ion batteries (LIBs) play a crucial role in the electrification of the automotive industry. However, onset of thermal runaway due to failure modes can occur under a variety of conditions including extreme cycling, regular operation, and even rest. Current battery management systems (BMS) often fail to detect thermal runaway until failure is imminent, providing limited intervention opportunities. This study evaluates advanced diagnostic techniques aimed at providing earlier warnings of LIB failures, thereby enhancing safety protocols within EV battery packs.
An assessment of the effectiveness of commercial gas sensors and rapid electrochemical impedance spectroscopy (EIS) will be presented, including their ability to determine warning times as cells are subjected to thermal and electrical stress. Data from these diagnostics are analyzed alongside real-time gas emissions using Fourier Transform Infrared Spectrometry (FTIR) and Mass Spectrometry (MS) to gain insights into the failure mechanisms of abused cells. The correlation of rapid EIS and gas sensor data with FTIR and MS analyses helped identify specific markers indicative of the onset of instability within the battery cells. These markers, which could be detected well in advance of critical failures, could be integrated into a BMS to enhance the safety and reliability of LIBs, mitigating the hazards associated with batteries in EVs. Our findings suggest a path forward for incorporating these diagnostic measures into the standard BMS to continuously monitor the state of stability of cells and battery packs, potentially revolutionizing battery safety in the automotive industry.

Sandia National Laboratories is a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia LLC, a wholly owned subsidiary of Honeywell International Inc. for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. SAND2024-04747A
Identifying Variability across Institutions in Differential Scanning Calorimetry for Materials Level Battery Safety
Authors: Johnson Nathan Brenner , Bhargava Bhuvsmita , Bates Alex Martin , Diaz Megan , Albertus Paul , Torres-Castro Loraine , Preger Yuliya 
Published: December 2024

With the growing concern over Li-ion battery safety, particularly with cells that utilize lithium metal anodes, differential scanning calorimetry (DSC) has emerged as a promising technique for the safety analysis of prospective chemistries on a materials scale. DSC is generally used for single materials, single cell layers, and combinations of layers to assess the thermal stability of battery materials as well as the interactions between materials. Despite the common use of DSC in the literature, there is no standardization for sample preparation or reporting requirements to ensure cross-institutional reproducibility. The reaction conditions (e.g., reaction kinetics) present within a DSC sample pan can vary greatly depending on factors such as pan material, pan type, sample loading, and the model/brand of the DSC. These unaccounted-for differences have led to significant variation in DSC results reported in the literature. This makes comparison of results challenging and, perhaps more importantly, modeling efforts using reported DSC data difficult.
In this work, Sandia National Laboratories (SNL) and University of Maryland, College Park (UMD) exchanged and tested lithium metal all-solid-state (LiSSB) materials on each respective DSC platform. UMD utilizes a high-temperature, high-pressure stainless-steel pan on a standard DSC. SNL utilizes an open sapphire pan on a pressurized DSC with no active purge. The results between samples were compared quantitatively and used to determine experimental design factors that can heavily influence results. Using that information, a list of critical experimental parameters was compiled in order to standardize DSC testing, improve cross-institutional reproducibility, and facilitate predictive modeling efforts for battery safety. By carefully controlling the testing conditions of DSC, bounds can be placed on the prediction of large-format cell safety for prospective chemistries which can improve the robustness of early-stage battery safety analysis. This will better guide materials development for next generation chemistries towards fundamentally safer battery materials.
Sandia National Laboratories is a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia LLC, a wholly owned subsidiary of Honeywell International Inc. for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.
Efficient Reformulation of Lithium-Ion Battery Models Using Symmetric Polynomials: Extending to Phase Field Models
Authors: Thiagarajan Raghav Sai , Garrick Taylor R. , Subramanian Venkat R. 
Published: December 2024

Energy storage will play a crucial role in the transition to clean and renewable sources of energy production to meet future consumption demands. Lithium-ion (Li-ion) batteries are widely adopted due to their high energy density, low self-discharge rate and fast charging capabilities for applications like electric vehicles and grid storage.
Lithium-ion batteries are typically modeled using porous electrode theory coupled with various transport and reaction mechanisms, along with suitable discretization or approximations for the solid-phase diffusion equation.The solid-phase diffusion equation represents the main computational burden for typical pseudo-2-dimensional (p2D) models since these equations in the pseudo r-dimension must be solved at each point in the computational grid. This substantially increases the complexity of the model as well as the computational time. Traditional approaches towards simplifying solid-phase diffusion possess certain significant limitations, especially in modeling emerging electrode materials which involve phase changes and variable diffusivities. A computationally efficient representation for solid-phase diffusion was shown in a previous paper1 based on symmetric polynomials using Orthogonal Collocation and Galerkin formulation (weak form). This approach increases the accuracy of the approximation (p form in finite element methods) to enable efficient simulation with a minimal number of semi-discretized equations, ensuring mass conservation even for non-linear diffusion problems involving variable diffusivities.
These methods will be reviewed for the full p2D model, illustrating their advantages in simulating high C-rates and short-time dynamic operation and extended to newer systems containing phase field models to analyze the robustness of the approximations.

References

R.S. Thiagarajan, A. Subramaniam, S. Kolluri, T. R. Garrick, Y. Preger, 729 V. De Angelis, J.-h. Lim, V. R. Subramanian et al2023 J. Electrochem. Soc. 170 010528
Electrochemical Conditions to Evalute the Corrosion Fatigue Behavior of Friction-Welded Stainless and Carbon Steel
Authors: Rossi Stefano , Benedetti Luca , Benedetti Matteo , Fontanari Vigilio 
Published: December 2024

The aggressive environment significantly influences fatigue-corrosion behavior, reducing material resistance. Welding materials with different electrochemical nobilities proves even more critical due to their particular geometry and the establishment of galvanic couplings. However, the use of joining of dissimilar steels is increasingly necessary to satisfy both corrosion resistance and mechanical properties. The behavior of components and structures working under fatigue in an aggressive environment such as the marine one can be critical.
This study characterized the friction junction between a stainless steel 304L and a carbon steel ASTM A105. A specially designed and constructed electrochemical cell allowed evaluating the fatigue-corrosion behavior of the junction in a 3.5 wt.% NaCl solution, simulating the marine environment, at different electrochemical potentials. To simulate and verify the influence of cathodic protection and overprotection, fatigue-corrosion tests were conducted both in free immersion conditions and at two cathodic potentials equal to -850 mV and -1300 mV Ag/AgCl. The negative role of the aggressive environment and the positive role of cathodic protection were highlighted. The effect of hydrogen developed by the cathodic reduction reaction in overprotection was also evaluated. Failure analyses allowed identifying different degradation mechanisms depending on the different testing conditions.
Corrosion Behavior of Additively Manufactured Mg-1Zn Alloy: Comparative Study between As-Built and Heat-Treated Conditions
Authors: Reyes Raul , Garcia-Galvan Federico R. , Lieblich Marcela , Jiménez José Antonio , Fajardo Santiago 
Published: December 2024

Additive Manufacturing (AM) unveils a spectrum of distinctive advantages, including design freedom, minimal waste generation, and energy efficiency compared to traditional manufacturing methods. Laser Powder Bed Fusion (LPBF) is a notable technique within AM, involving the selective deposition and melting of metallic powder layers using a high-powered laser to create three-dimensional parts based on a pre-designed digital model.
Magnesium (Mg), with a density of approximately 1.74 g/cm³, emerges as a promising material in the transportation industry due to its lightweight nature and excellent strength-to-weight ratio. This not only addresses engineering challenges but also provides significant advantages in terms of energy efficiency and the reduction of CO2 emissions, the primary contributor to the greenhouse effect. Moreover, Mg's biocompatible properties offer opportunities for use in the biomedical field, particularly for temporary implant applications. However, the use of Mg alloys is limited by their low ductility and corrosion resistance in aqueous environments
This study investigates the microstructure and corrosion resistance of LPBF-prepared Mg-1Zn alloy in a NaCl solution. Surface analysis, electrochemical measurements including Potentiodynamic Polarization (PDP) and Electrochemical Impedance Spectroscopy (EIS), and gravimetric hydrogen (H2) collection were conducted to assess the alloy's performance. Additionally, the effect of heat treatment was studied. Consequently, two conditions were examined: as-built and heat treated Mg-1Zn.
(Invited) Materials and Processes Developments for the Commercialization of Perovskite Solar Cells
Authors: Eguchi Naoto , Yamamoto Kohei , Fukazawa Taro , Funaki Takashi , Onozawa-Komatsuzaki Nobuko , Nishimura Naoyuki , Kanda Hiroyuki , Mondal Santa , Kogo Atsushi , Miyadera Tetsuhiko , Miyake Takashi , Murakami Takurou N. 
Published: December 2024

Perovskite solar cells (PSCs) can be the lightweight film type of solar cells from their bendable characteristics of the perovskite layers. However, performance improvements are still needed, such as long-term durability and the development of large-area deposition processes for commercialisation.
To this end, we are working on the development of high durability technology and cell manufacturing technology to lead the mass production of perovskite solar cells. We are also working on methods for analysing perovskite solar cells and technology for evaluating their performance and reliability. This presentation will introduce the research and development activities at AIST for the commercialisation of perovskite solar cells.
We would like to thank NEDO for supporting the R&D projects for perovskite solar cells (JPNP21016).
Inorganic Additive-Based Approach for Wide-Bandgap Perovskites and Their Crystallization Mechanism
Authors: Nishikubo Ryosuke , Park Yeon , Saeki Akinori 
Published: December 2024

The formation process of lead halide perovskite (LHP) is affected by various components such as composition, additive, under-layer, etc... Those components significantly change the perovskite quality such as crystallinity, defect density, and halide segregation. However, the comprehensive understanding of the correlation between process condition (composition, underlayer, and additive) and charge dynamics is still lacked. Furthermore, the crystallization dynamics with varied process condition are of significant importance to reveal the control strategy of film quality. Herein, charge carrier dynamics of Br-rich wide-bandgap (WG) perovskite was studied using photoluminescence spectroscopy (PL) and time-resolved microwave conductivity (TRMC). Inorganic additive was introduced to suppress trap formation and halide segregation. Although various organic additive have been reported, the study of inorganic additive for WG perovskite are relatively few. The crystal formation dynamics was also studied by originally build in-situ optical spectroscopy.
Varied composition of perovskite (A-site: FA0.8MA0.15Cs0.05, FA0.9Cs0.1, FA0.85MA0.15, X-site: Br 20, 33, 50%) with different under-layer (regular: TiO2, inverted: PTAA/PFN-Br) were prepared, and evaluated. X-ray diffraction measurement demonstrated that 3-cation (FAMACs) exhibits relatively high crystalline size when TiO2 was used as under-layer, whereas 2-cation (FACs) exhibited improved crystallinity when it was deposited on PTAA/PFN-Br. TRMC measurement revealed that FAMACs on TiO2 and FACs on PTAA/PFN-Br exhibits improved charge lifetime. Subsequently, inorganic additive was introduced into FAMACs perovskite with the Br-ratio of 33%. Metal chloride additive exhibited the improvement in TRMC photoconductivity, photovoltaic performance, and stability upon voltage scan. Nucleation and crystallization dynamics was also studied using originally developed in-situ spectroscopy. The significant change of formation dynamics was observed upon changing composition and additives. Our study provides new insight into perovskite film formation and obtained property.

Figure 1
Large-Area Ultrasonic Spray Manufacturing with Open-Air Plasma Curing of Transparent Conducting Oxides for Thin Film Solar Cells with High Figures of Merit via Solution Combustion Synthesis
Authors: Colburn Thomas William , Crane Gabriel , Flick Austin C , Carbone Abigail , Miller Robert D , Dauskardt Reinhold Horst 
Published: December 2024

Transparent conducting oxides (TCOs) have remained critically important as electrodes for perovskite solar cells, LEDs, and optoelectronics. Commonly implemented solution-based deposition methods of TCOs such as sol-gel utilize lengthy anneals at temperatures >400 ºC under controlled forming atmospheres which limit high-throughput manufacturing. Sol-gel produced TCOs can also struggle from lower conductivity and lower film density which can inhibit performance as an electrode. As a result, sputtering is commonly used to generate films at the sacrifice of in-line throughput speeds and cost. Solution combustion synthesis overcomes challenges with sol-gel and sputtering by utilizing an exothermic combustion event to generate thin films at impressive speeds from liquid precursors under ambient conditions and with lower required thermal loads.
Here, we present a fully vacuum-free, open-air, and high-speed deposition of large area TCOs via solution combustion synthesis. We utilize four ultrasonic spray printing passes at 6 m/min followed by a 1-minute thermal cure to generate the oxide. Then, we utilize an open-air, 15-minute forming gas plasma anneal to introduce oxygen vacancies. Using this method, we demonstrate the fabrication of 300 cm2 of indium tin oxide with an average Haacke figure of merit (%Tvis
10/Rs) of 0.005 1/ohm, average sheet resistance of 64 +/- 14 ohm/sq and a champion sheet resistance of 38 ohm/sq. We also demonstrate optical transmission of 89% +/- 3% and stability of the films in air for >20 days. In-house cost modeling in collaboration with the National Renewable Energy Laboratory of our TCO fabrication process for a 100 MW perovskite solar module facility demonstrates a >50% reduction in price for the TCO compared with traditional vacuum sputtering. This work is a meaningful step toward a new method for manufacturing TCOs at commercial scales for solar and optoelectronic applications in open-air and reduced costs.