bluuebunny/crossref_metadata_2025_split huggingface dataset:
Advancing Production of e-Fuels through Pressurized Co-Electrolysis in Solid Oxide Electrochemical Cells
Authors: Kupecki Jakub , Niemczyk Anna , Bąkała Maciej , Motyliński Konrad , Kosiorek Magdalena , Jagielski Stanisław 
Published: December 2024

Solid oxide electrolyzers (SOE) offer a great advantage over low-temperature electrolyzers, which makte them great candidates for intregration with downstream processes for synthesis of e-fuels. Moreover, SOE can be operated in co-electrolysis mode which makes it possible to simultaneously reduce H2O and CO2 in an electrochemical process. Such a mode of operation results in mixture of H2, CO, H2O and CO2 which can be directly fed to Fischer-Tropsch synthesis. Additionally, co-SOE can be pressurized in order to increase activation resistance and elevate partial pressures of reactants at the triple phase boundary.
Despite the great potential, up to date SOE were pressurized in only a few laboratories worldwide, therefore literature data are limited.
In the recent study, two batches of 5 cm x 5 cm Ni-8YSZ supported cells with LSC oxygen electrode were investigated. The commercial cells and cells produced in house at the Institute of Power Engineering - National Research Institute. Experimental studies included operation at the ambient pressure and measurements under pressurized conditions. The experimental campaing was constrained by two parameters (whichever occurs first): voltage equal 1.4 V or reaching limiting concentration of reactants at the outlet which correspond to carbon desposition isotherm under given working conditions.
Upon completion of the in operando analysis, area specific resistance (ASR) was calculated and analyzed (see Fig. 1). Post-mortem analysis of cross-sections and central location in the electrode-support was investigated using SEM-EDS analysis. Finally, results of the experimental studies were used for the development of model of co-electrolysis in order to determine the performances of same cells operated under ambient and pressurized conditions beyond standard conditions. Application of a dedicated model based on artificial neural included implementation of Adam ‘Adaptive Moment Estimation’ which was chosen as it introduces an adaptive learning rate for each parameter. With such an approach the optimization became more precise. The design of the network targeted minimization of the number of hidden layers and neurons to mitigate the risk of overfitting. Model was found to precisely predict the current-voltage characteristics of co-SOE under ambient and pressurized conditions (see Fig. 2). Pressurization of co-SOE is qualitatively and quantitatively assessed as a promising process for generating substrates for reaction in which liquid e-fuels are produced.
The work integrates experimental tools and numerical modeling in order to predict performance and composition of gases exiting co-SOE which are feed Fischer-Tropsch synthesis. The general requirements of the downstream process are presented and discussed.

Figure 1
Advanced Chemical-Free Boron Removal Technique through Bipolar Membrane Electrodialysis for Seawater Reverse Osmosis Permeate
Authors: WU MIN Chen , Hou Chia-Hung 
Published: December 2024

The increasing threat of water scarcity poses a significant challenge to water-intensive industries in Taiwan. There is a pressing requirement to increase freshwater production from seawater and wastewater. In the existing seawater treatment process, two-pass reverse osmosis (RO) and pH adjustment are generally adopted. The first stage RO aims at removing salts within normal pH levels, while the second stage RO focuses on eliminating boron under high pH conditions (>10). Under alkaline conditions, the dominant species, borate ions, are more readily rejected by RO membranes due to their larger hydrated size and negative charge. However, these procedures require substantial chemical dosing and energy consumption, which is uneconomical and environmentally unsustainable. Hence, the urgent need to replace the second stage RO with alternative technologies featuring low operational costs and chemical dosing is evident.
Recently, bipolar membrane (BPM) has drawn increasing attention due to the ability to produce acids and bases from the corresponding salt solutions without chemical addition. Under reverse bias, water dissociation reaction occurs, generating protons and hydroxyl ions from water molecules. The H+ and OH− migrate through the cation and anion exange layer of the BPM, leading to the formation of acidic and alkaline pH on opposite sides of the membrane and creating a pH gradient across the BPM.
The aim of the study is to achieve boron removal without chemical addition using bipolar membrane electrodialysis (BMED).The characteristics of the commercial BPM, including current-voltage curve and co-ion leakage ratio, are first analyzed. Subsequently, a 4-channel BMED system will be developed to simultaneously remove boron in the alkaline chamber while concentrating boron in the acidic chamber. Increasing the pH value in the alkaline chamber to above the pKa value of 9.24 effectively converts boric acid into brate ions, facilitating efficient boron removal in BMED. In addition, the feasibility of using BMED for boron removal will be further examined under different operational conditions, such as applied voltage (3 V, 4 V, and 5 V), flow rate (5 mL/min and 10 mL/min), and influent boron concentration (0.5 mM, 1 mM, and 10 mM), in sigle-pass mode. This study provide an alternative solution for the treatment of boron in seawater.

Figure 1
(Invited) Electrocatalytic Synthesis of Ammonia and Urea
Authors: Kwon Youngkook 
Published: December 2024

The electrocatalytic hydrogen cycle with nitrogen and carbon resources is of emerging interest for renewable energy and environment. Among nitrogen species, electrosynthesis of ammonia (NH3) from N2 or NOx and urea (CO(NH2)2) from N2 or NOx together with CO2 have attracted great attention with substantial progress in recent years as clean and energy-saving approach, to potentially replace the commercialized energy- & capital-intensive Haber-Bosch process.
In order to accelerate the ammonia production rate, nitric oxide (NO) can be employed and converted to ammonia with high selectivity by capturing NO with FeII-EDTA.1) However, low concentration and the low solubility of NO (~1.94 mM in water at 25°C) is expected to affect ammonia production rate from direct electrochemical NO reduction reaction (NORR) in aqueous electrolytes. In order further increase the ammonia production rate, we employed a gas diffusion electrode (GDE) to circumvent the mass transport issue with a dilute NO gas.2) In addition, urea was successfully synthesized using Cu with atomic-scale spacings between copper facets, which lowers the energy barrier for C-N coupling and enhances the reaction kinetics, therefore leading to improved urea formation from co-reduction of carbon dioxide and nitrate in a flow-cell system.3)

1) ACS Energy Lett., 2020, 5, 3647-3656.
2) ACS Energy Lett., 2022, 7, 958-965.
3) Energy Environ. Sci., 2023, 16, 2003-2013.
Redox Chemical Transformation of Organic and Inorganic Compounds in Frozen State - Intrinsic Electron Transfer Processes in Ice
Authors: Kim Kitae 
Published: December 2024

Ice is one of the most abundant substances on Earth. However, little research has been done on ice as a medium for chemical reactions. Most of chemical reactions take place slowly when temperature drops based on Arrhenius Equation
(k=A·e-EA/RT). However, it has been found that several chemical processes markedly accelerated in ice phase. For example, Takenaka et. al. reported that the NO2
- oxidation to NO3
- in the presence of O2 which is very slow reaction in aqueous solution was markedly accelerated (appx. 105 times) by freezing. The enhanced chemical transformation is attributed to the Freeze Concentration Effect, whereby organic and inorganic compounds are separated from ice crystals and highly concentrated in unfrozen parts or ice grain boundaries.
In this presentation, we want to introduce accelerated chemical redox reactions in frozen state such as 1)enhanced redox dissolution of metal oxide/clay minerals in ice and the novel process for the new mineral formation 2)accelerated chemical transformation of iodine species in frozen state, and 3)
accelerated redox transformation of organic and inorganic pollutants in ice such as Cr(VI)/organic reductants, Cr(VI)/As(III), Cr(VI)/H2O2, Cr(VI)/NO2
- and Cr(VI)/phenolic pollutants systems. The detailed research background, experimental conditions, mechanistic explanation, and effects on climate changes will be discussed in the presentation.
Equivalent Circuit Modelling for Electrode-Supported Solid Oxide Cell Based on Analysis of Gas and Temperature Dependence
Authors: Budiman Riyan Achmad , Konishi Rikuto , Yamaguchi Mina , Kawada Tatsuya , Yashiro Keiji 
Published: December 2024

Electrochemical impedance spectroscopy (EIS) measurement is used to determine the performance of solid oxide cells (SOCs). In the commercial-type of SOC such as an electrode-supported cell (ESC), all reaction resistance is sometimes combined into one spectrum, making it difficult to deconvolute the reaction resistance. The distributed-relaxation times (DRT) is often used to deconvolute the impedance spectra into a several reaction resistances. However, the DRT analysis cannot give any physical meaning to each reaction resistance of SOC’s components. Thus, it is necessary to build an equivalent circuit model to describe the physical meaning of each resistance.
In this study, the ESC (Nexceris, USA) with a composition of Ni-YSZ (yttria stabilized zirconia) as a fuel electrode, 8YSZ as an electrolyte, Ce0.9Gd0.1O1.95 as an interlayer, and La0.6Sr0.4CoO3-

δ
(LSC) as an electrode was measured by EIS as a function of oxygen partial pressure, hydrogen partial pressure, water vapor partial pressure, temperature, and carbon dioxide partial pressure under open circuit voltage (OCV). At first, the impedance spectra were analyzed by the DRT method using software “FTIKREG” [1] based on Tikhonov regularization. After that, the complex nonlinear least square (CNLS) equivalent circuit was developed and fitted to the obtained impedance spectra.
The gas conversion and diffusion at a very low-frequency region were analyzed by the Warburg impedance, meanwhile, the electrode resistance was perfectly fitted by the Gerischer impedance. The analysis result on the air electrode resistance of LSC showed the transport properties such as oxygen exchange coefficient and oxide ion diffusivity of the LSC air electrode close to the reported data on the bulk electrode [2]. Meanwhile, the analysis result on the Ni/YSZ fuel electrode resistance showed a good agreement on the reaction resistance and chemical capacitance from the reported data [3].
Despite the developed model is “well-fitted” with the obtained impedance spectra, the analysis only done at OCV. In the real operating condition such as fuel cell or electrolysis mode the applied bias is used. Thus, the impedance spectra will slightly be different to those obtained under OCV. Therefore, the developed model will be also fitted to the impedance spectra under applied bias. The analysis result will be used to discuss the application of the developed equivalent circuit model.

Acknowledgement

This study was supported by the New Energy and Industrial Technology Development Organization (NEDO), grant number JPNP16002.

Reference

[1] J. Weese, Computer Physics Communications, 69 (1992) 99-111.
[2] D. K. Hohnke et al., Solid State Ionics,5 (1981) 531-534.
[3] M. Takeda, K. Yashiro, R. A. Budiman, S. Hashimoto, T. Kawada, J. Electrochem. Soc., 170 (2023) 034505.
Development of QD-OLED and Thin Film Encapsulation Technology Using Inkjet Printing
Authors: Kwon Byoung-Hwa , Shin Jin-Wook , Kang Chan-Mo , Cho Hyunsu , Joo Chul Woong , Choi Sukyung , Cho Nam-Sung , Byun Chun-Won 
Published: December 2024

In the display industry, inkjet printing has the advantages of high material use efficiency, digital control, and non-contact printing. Additionally, it is advantageous for large-area processing and flexible/stretchable device applications. Due to these attractive advantages, technology development to apply the printing process to the display mass production process has continued for a long time. The quantum dot organic light-emitting diode (QD-OLED) panel recently developed by Samsung Display showed that inkjet printing technology can stably implement not only the encapsulation process but also light-emitting pixels.
In this study, we first describe the encapsulation technology for OLED devices developed using inkjet printing used in industrial mass production processes. Specifically, TFE (Thin Film Encapsulation) with a 1.5-dyad structure in which organic and inorganic layers exist alternately was implemented and the structure was analyzed. We then introduce the results of applying this TFE to flexible OLED devices and panels.
Next, we describe QD-OLED manufacturing technology using inkjet printing. Specifically, QD-OLED integration technology is explained focusing on the top-emitting OLED process, QD pixel definition layer process, and QD inkjet printing process. We introduce the electrical and optical analysis results of the QD-OLED produced in this way.
Development of a Streaming Potential-Driven Electrolysis System: Reductive Hydroxylation of Aromatic Boronic Acids
Authors: Iwai Suguru , Suzuki Taichi , Villani Elena , Sato Kosuke , Hasegawa George , Ishizuka Norio , Matsukawa Kimihiro , Tomita Ikuyoshi , Inagi Shinsuke 
Published: December 2024

Bipolar electrodes (BPEs), driven by an electric field in low-concentrated electrolytes, are paying more and more attention due to their unique features such as wireless nature and gradient potential distribution(Figure 1a)1. Recently, we achieved electrochemical fluorination using a bipolar electrode, reducing the amount of supporting electrolyte that becomes waste after the reaction2,3. However, the driving electrodes generating an electric field may induce side reactions during electrolysis. Using streaming potential is a key strategy to solve this problem (Figure 1b). Streaming potential is a potential difference generated by a laminar flow of low-concentrated electrolytes inside a narrow channel4. Indeed, an anodic dissolution of metallic silver5 and electropolymerization of aromatic monomers6 were achieved in bipolar electrode systems driven by the streaming potential (Figure 1c).
In this work, we aimed to expand this electrolysis system to molecular transformations. The reductive hydroxylation of aromatic boronic acid was selected as a model reaction (Figure 1d) 7. To amplify the streaming potential, we employed various porous fillers packed in narrow flow channels. Polymer resin fillers with continuous porous monolith structures showed high streaming potential. Then, the hydroxylation using streaming potential was carried out by pumping the solution containing 4-(methylthio)phenylboronic acid. As a result, the reaction current was observed between bipolar electrodes, and the desired phenol product was detected by 1H NMR, suggesting that the proposed electrochemical hydroxylation proceeded without a power supply. Through the investigation of the concentration of substrates, electrode surface area, and additives, the yield and conversion yield were increased to 9.0% and 97.3%, respectively. The details of the streaming potential measurements and hydroxylation will be presented in the talk.
References

N. Shida, Y. Zhou, S. Inagi, Acc. Chem. Res., 2019,52, 2598–2608.

K. Miyamoto, H. Nishiyama, I. Tomita, S. Inagi, ChemElectroChem, 2019, 6, 97–100.

H. Sakagami, H. Takenaka, S. Iwai, N. Shida, E. Villani, A. Gotou, T. Isogai, A. Yamauchi, Y. Kishikawa, T. Fuchigami, I. Tomita, S. Inagi, ChemElectroChem, 2022, 9, e202200084.

A. V. Delgado, F. González-Caballero, R. J. Hunter, L. K. Koopal, J. Lyklema, J. Colloid Interface Sci., 2007, 309, 194–224.

I. Dumitrescu, R. K. Anand, S. E. Fosdick, R. M. Crooks, J. Am. Chem. Soc., 2011, 133, 4687–4689.

S. Iwai, T. Suzuki, H. Sakagami, K. Miyamoto, Z. Chen, M. Konishi, E. Villani, N. Shida, I. Tomita, S. Inagi, Commun. Chem., 2022, 5, 66.

K. Hosoi, Y. Kuriyama, S. Inagi, T. Fuchigami, Chem. Commun., 2010, 46, 1284–1286.

Figure 1
High Charge-Discharge Performance of Stacking-Sequence Disordered SiC as Anode Material for Lithium-Ion Battery
Authors: Ohyanagi Manshi , Hayashi Yura , Shirai Kenshiro , Imai Takahito , Ohta Minehiko 
Published: December 2024

Much attention has been paid on Si, SiO and the composites with graphite as anode materials for lithium-ion battery. The issue of huge volume change in lithiation and delithiation which leads the less reversible capacity retention is serious and most of the efforts to overcome it has been directed to insert any kinds of buffers including the mechanical into the negative electrode material. Another attractive candidate as the anode material is β-SiC. One of major problems to develop the semiconductive β-SiC as the anode material is the loss of conduction pass inside the materials just like Si and SiO. β-SiC possesses zinc blend type of cubic structure with regularly stacked three close packed layers.
We found that stacking-sequence disordered SiC (SD-SiC), not the three dimensionally ordered crystal like cubic β-SiC, with amorphous carbon as conduction pass worked as the anode material with the high discharge capacity of 1490mAh/g-Si (or 1040mAh/g-SiC) at 50mA/g after 14 cycles in the half-cell with Li as the counter electrode. In this work, the synthesis of SD-SiC with amorphous carbon, the discharge rate property and the cycle performance in the half-cell will be described.
Structural and Chemical Evolution of Highly Fluorinated Li-Rich Disordered Rocksalt Oxyfluorides as a Function of Temperature
Authors: Sunariwal Neelam , Cabana Jordi 
Published: December 2024

Li-rich disordered rock-salt oxyfluorides (DRS) represent a novel category of cathode materials characterized by remarkable electrochemical performance (references [1,2]). The substitution of oxygen (O) with fluorine (F) in DRS materials yields a notable enhancement in reversible discharge capacity, rendering them promising candidates for future high-energy Li-ion batteries with elevated capacity. Despite extensive exploration of their structural and electrochemical attributes, very little attention has been paid to their thermal stability. DRS oxyfluorides can be synthesized through solid-state and mechanochemical ball milling methods (references [3-5]). While solid-state synthesis is constrained by limited fluorine solubility compared to mechanochemical ball milling, the latter method generates metastable materials. Some studies have employed thermal treatment to enhance the structural stability and capacity retention of DRS, yet a comprehensive understanding of their inherent stability upon thermal treatment remains elusive (references [5,6,7]).
To bridge this knowledge gap, our research delves into the thermal stabilities of Li2MO2F compositions featuring various M elements (M = Mn, Ni, and Co) and delineates the structural transformations at different temperature regimes. We employ a combination of analytical techniques including X-ray diffraction, NMR, and X-ray absorption spectroscopy to elucidate alterations in the local structure of oxyfluorides and their decomposition into other phases. This presentation will elucidate the impact of thermal treatments on chemical and structural characteristics by leveraging distinctive spectral attributes. Furthermore, we will elucidate how a comprehensive understanding of these thermally treated F-rich phases correlates with enhanced electrochemical performance and capacity retention, positioning them as viable candidates for battery cathode materials.[8]
References:

D. A. Kitchaev et al., Energy Environ. Sci., 11, 2159–2171 (2018).

D. Chen, J. Ahn, and G. Chen, ACS Energy Lett., 6, 1358–1376 (2021).

X. Xu et al., J. Electrochem. Soc., 168, 080521 (2021).

Y. S. Moghadam, A. E. Kharbachi, G. Melinte, T. Diemant, and M. Fichtner, J. Electrochem. Soc., 169, 120514 (2022).

I. Blumenhofer et al., ACS Mater. Au (2022) https://doi.org/10.1021/acsmaterialsau.2c00064.

J. Huang et al., Small Structures, 4, 2200343 (2023).

H. Ji et al., Chem. Mater., 31, 2431–2442 (2019).

N. Sunariwal et al., Adv. Funct. Mater. 2024, 34, 2312010

Figure 1
Design of Functional Electrolytes for Automotive Lithium-Ion Batteries
Authors: Deguchi Masaki , Todorov Yanko Marinov , Abe Koji 
Published: December 2024

Lithium-ion secondary batteries are increasingly used in large power sources such as EVs, and ensuring battery safety has become an important issue as the batteries become higher voltage and higher capacity. In 1999, we proposed a "functional electrolyte" in which a small amount of an additive with a new function is added to the electrolyte. Since then, many additives have been commercialized. Among them, a mixture of ethylene carbonate (EC), which has a high dielectric constant, and ethyl methyl carbonate (EMC) or dimethyl carbonate (DMC), which has a low viscosity, with additives is used as the electrolyte for current automotive lithium-ion batteries (LIB).
However, the flash point of these electrolytes is as low as 25°C, so we have been investigating high-safety electrolytes, focusing on solvents with flash points of 120°C or higher. But it has been found that if only high flash point EC, propylene carbonate (PC), or γ-butyrolactone (GBL) solvents are used, they cannot wet the hydrophobic separator whose material is polyethylene (PE) and/or polypropylene (PP). As the first theme of our presentation, we focused on a low viscosity linear carboxylic acid esters and designed an electrolyte with a flash point above 120°C that provides wettability to the separator even in an electrolyte with a high dielectric constant solvent. Based on this, using EC and GBL as a high flash point solvent and LiFSI as a thermally stable Li salt, we will report our investigation of additives to prevent corrosion of Al current collectors due to LiFSI in this high-safety electrolyte.
Another safety issues, when a battery is overcharged, the cathode and anode electrodes become thermally unstable and the battery's Joule heat increases, leading to thermal runaway. To suppress this, we have been vigorously developed additives for overcharge prevention. On the other hand, little research has been conducted on overdischarge prevention. The battery module discharge termination voltage is fixed in the device / power supply, but sequentially connected single cells in the assembled battery may be overdischarged, and there is a concern that the battery performance is hindered by the dissolution of the Cu current collector. As the second theme of our presentation, we focused on additives with carbodiimide groups (N=C=N) to prevent dissolution of Cu current collectors during overdischarge and will report the unique phenomenon.