bluuebunny/crossref_metadata_2025_split huggingface dataset:
Redox-Mediated Electrodialysis for Recycling of Spent Lithium Ion Battery
Authors: Kim Choonsoo , Kim Hyunjin , Kim Seonghwan 
Published: December 2024

Redox-mediated electrodialysis (Redox-ED) has emerged as a promising alternative for electrochemically driven desalination and ion separation. It represents a culmination of advancements in combining conventional electrochemical ion separation processes such as capacitive deionization (CDI) and electrodialysis (ED). The Redox-ED system's distinctive multi-channel design, enabling independent control of flow streams, stands out as a significant feature facilitating superior process optimization and system performance. Redox-ED offers several key advantages over conventional ED and CDI.
First, Redox-ED utilizes reversible redox couples at the end electrodes to drive deionization, resulting in minimal cell voltage requirements. This contrasts with conventional ED, which typically requires higher cell voltages for the water-splitting reaction. Second, the most notable advantage of Redox-ED is its potential for energy recovery from the redox couples employed in the process. This implies that energy expended during desalination can be partially or wholly regained when the redox reactions are reversed, similar to energy recovery in redox flow batteries. Third, Redox-ED can utilize commercially available electrodes, such as activated carbon, for redox reactions under mild conditions. In contrast, traditional ED often relies on costly metal oxide electrodes, like dimensionally stable anodes, to withstand extreme reaction conditions. Lastly, Redox-ED operates under relatively mild reaction conditions compared to traditional ED, resulting in reduced byproduct production and pH variation. This enhances the manageability of downstream processes and system operation.
Following the development of Redox-ED, this presentation aims to elucidate the basic principles of Redox-ED and recent advances, covering cell architecture, electrodes, functionality, and scale-up strategies. Additionally, potential applications in spent lithium-ion battery recycling will be explored. Finally, practical challenges and opportunities for future research directions will be discussed.
Electrocatalytic CO2 Conversion to Formate Using Gas-Diffusion Electrodes with Group 12-15 Metals
Authors: Piao Guangxia , Park Hyunwoong 
Published: December 2024

The group 12-15 metals of the periodic table are considered promising catalysts for the electrochemical conversion of CO2 to formate. The activities of these metals are estimated and compared using bulk metals (i.e., metal plates) in conventional aqueous CO2 electrolysis systems. Herein, five group 12–15 metals (Cd, In, Sn, Pb, and Bi) in the particulate form are hydrothermally synthesized, and their catalytic activities in formate production are examined in the gas-diffusion electrode device with continuous CO2 supply, with catalyst mass loading and applied current density as independent variables. The faradic efficiency values lower than 80% are obtained for Pb and Cd regardless of the experimental conditions. By contrast, In, Sn, and Bi show the relatively reliable faradaic efficiency values of >80% and cathodic energy efficiency values of >45% at cathodic Jof 100-300 mA cm−2 (hence partial current density for formate, J
FM ~250 mA cm-
2). Surface characterization reveals the crystalline structures of BiOCl, Cd(OH)2, In(OH)3, PbO, and SnO2. Among the metals, Sn is further modified under a reductive atmosphere to increase its energy efficiency. The figures of merit (faradaic efficiency, current, and cathodic energy efficiency) for the modified Sn are marginally higher than those for the other Sn types.
This work was supported by the Technology Innovation Program (or Industrial Strategic Technology Development Program-Alchemist Project) (NTIS-1415187362, 20025773, Development of building-Integrated Carbon Control Technologies) funded By the Ministry of Trade, Industry & Energy(MOTIE, Korea). This work is financially supported by Korea Water Cluster (KWC) as Korea Water Cluster ProjectLab.
Phosphor Technology for Display Applications
Authors: Song Younghyun , Choi SeungHee , Jeon Sie Wook , Jang InSeok , Jeong Ho-Jung 
Published: December 2024

Since its opening in 2001, the Korea Photonics Technology Institute has been a specialized in the optical technology field. We are leading the lighting industry market and technology through research and development for various uses of light, including the defense field, and technical support for small and medium-sized companies.
In particular, the Korea Photonics Technology Institute's Inorganic Light-Emitting Display Research Center is actively researching related fields to lead the future display market. At this PRiME 2024 conference, we aim to provide help to researchers in related fields under the topic of ‘Phosphor technology for displays applications.’
In particular, we would like to introduce ceramic phosphor converter technology for laser displays. We would like to introduce the applicability of laser displays through nano-phosphor synthesis technology, sintering technology, and optical analysis.
In this communication, we present the feasibility of phosphor technology. By carefully designing the phosphor, these phosphor materials are believed to lead to excellent candidates as luminescence materials for display applications.
Some Approaches for Theoretical Search of Novel Phosphor Materials Based on First-Principles Calculations and Machine Learning
Authors: Ogasawara Kazuyoshi 
Published: December 2024

For theoretical search of novel rare earth (RE)-doped or transition metal (TM)-doped phosphor materials, it is important to optimize the combination of luminescent ions and host crystals. For this purpose, information on the structure-property relationships such as the structure-energy relationship is indispensable. Accordingly, prediction of the absorption and emission energies for hypothetical materials is essentially important.
In our group, we conduct research to obtain such information by three approaches. (1) Analysis of detailed electronic structures based on first-principles calculations, (2) Prediction of emission and absorption energies based on first-principles calculations and machine learning, (3) Creation of structure-property maps based on systematic first-principles calculations.
In this talk, these approaches will be explained in detail and some of our results will be also presented.
Prediction of 1Eg energies in Ni2+ in Crystals Based on Racah Parameters B and C By First-Principles Calculations and Machine Learning
Authors: Kobayashi Tomoki , Tanaka Shuma , Ogasawara Kazuyoshi 
Published: December 2024

Recently, demand of infrared phosphors is increasing because they can be used not only for lighting applications such as night vision camera and plant growth but also in various fields such as biomarkers that emit light by binding to abnormal sites in living organisms. Since the Ni2+-doped phosphors are drawing attentions as potential infrared phosphors, analysis of multiplet energies and emission mechanism of Ni2+ in crystals is very important for the development of novel infrared phosphors. For Mn4+, Cr3+ and Ni2+ in crystals, Brik et al. analyzed a large amount of experimental data in literature and indicated the importance of the Racah parameter C in addition to B and proposed a new Nephelauxetic parameter. Considering their results, we have recently created prediction models of 2Eg levels of Mn4+ and Cr3+ in oxides and fluorides based on the Racah parameters B and C using machine learning.
For theoretical design of infrared phosphors, a similar prediction model for 1Eg level of Ni2+ would be useful. According to the Tanabe-Sugano diagram for the d8 configuration, the energy of 1Eg is almost independent of Δ/B which is a measure of the strength of the ligand field normalized by the Racah parameter B. Therefore, the energy of 1Eg seems to be determined by the Racah parameter B. However, as pointed out by Brik et al., in actual experimental values in literature, there are Ni2+-doped crystals which have different 1Eg energies despite having almost the same B values, indicating the necessity of consideration of the Racah parameter C as well. In this work, we created systematic model clusters for Ni2+ ions in crystals and performed first-principles calculations of the multiplet energies using the DV-Xα and DVME methods. Using these systematic data as the training data, predictive models of 1Eg based on the Racah parameters B and C were created by machine learning and the influence of these parameters on the multiplet energies was investigated in detail.
(Invited) Bringing Electrochemistry to Raman Spectroscopy Again with Unconventional Approach
Authors: Kang Mijeong , Ansah Iris Baffour , KIM Donghyeon 
Published: December 2024

Since the landmark discovery of enhanced Raman scattering at electrochemically roughened metal surfaces in 1974 (Chem. Phys. Lett. 1974, 26, 163), electrochemistry has ushered in a new era of Raman spectroscopy. Although the Raman signal is highly specific to molecular species and thus has great potential as a practical tool for molecular identification, its low cross-section has presented a significant challenge. This challenge has been met by the employment of plasmonic nanomaterials, the origins of which can be found in the study reported in 1974. Metallic surface with nanostructure, such as the electrochemically roughened metal surface, has surface plasmon that can greatly amplify both the incident electromagnetic wave and the scattered electromagnetic wave, which is termed electromagnetic (EM) enhancement, resulting in enhanced Raman scattering. This surface-enhanced Raman scattering (SERS) has emerged as one of the most popular analytical tools, thanks to the extensive development of new plasmonic nanomaterials. In addition to this material-wise signal enhancement, an electrochemical method can enhance Raman scattering by inducing a resonance condition: a charge-transfer resonance by the electron transfer between metal and Raman-active molecule. For achieving this chemical (CM) enhancement, it is essential to ensure proper alignment of the Fermi level of metal, the energy level of molecular orbitals, and the energy of incident light, and the application of electrochemical potential to the metal can adjust the Fermi level to meet the resonance condition.
Here, we present a unique application of electrochemical processes that can induce both EM and CM enhancements. In the presence of a metal cation (i.e., a precursor of a plasmonic substance), a suitable electrode potential can generate a new plasmonic surface on the electrode. This process can enhance the Raman signal of the molecule adsorbed on the electrode prior to the potential application, via the EM enhancement mechanism. Since the newly formed plasmonic surface is retained even after the potential application is terminated, the continuation of EM enhancement is expected; however, the Raman signal is significantly reduced. In addition, the Raman enhancement observed during the potential application is mode-selective, which is one of the characteristics of CM enhancement. In combination, the electrochemical process involving a plasmonic metal precursor harnesses both EM and CM enhancements, yielding a great enhancement of the Raman signal. The mechanistic study of this platform and its applications will be presented in this talk.
(Invited) Binding of DNA Aptamers to Target Molecules in Hydrated Ionic Liquids
Authors: Fujita Kyoko , Ikebukuro Kazunori 
Published: December 2024

DNA aptamers are single-stranded oligonucleotides that bind to target molecules with high affinity and specificity. These interactions are governed not only by nucleotide sequence recognition but also by the presence of higher-order structures. The binding affinity of aptamers to target molecules may depend on various intermolecular interactions, such as electrostatic, hydrophobic, and hydrogen bond interactions. Water molecules are expected to affect the interactions between these molecules, considering that hydrogen bonding is essential for the formation of higher-order structures of both the DNA aptamers and target molecules. Furthermore, it has been reported that water activity affects the stability of DNA structures. Understanding the effect of water molecules on the structures and interactions of aptamers is, therefore, important for their further application. We have previously proposed ionic liquids (ILs) as potential candidates for controlling the state of water molecules.
ILs are salts with melting points below 100 °C, and the solvent properties can be tuned to some extent by selecting the component ions. We have previously reported that the use of "hydrated ILs", in which the component ions are selected and a small amount of water is added, allows biomolecules such as proteins and nucleic acids to dissolve while maintaining their higher-order structure as in aqueous solution [1]. Furthermore, increased long-term and thermal stability of biomolecules have been reported after dissolution in hydrated ILs. When oligonucleotides forming quadruplex structure in buffer solution are dissolved in tuned hydrated IL, i.e., hydrated cholinium dihydrogen phosphate ([ch][dhp]), the original quadruplex structure is retained [2].
Since it was found that oligonucleotides retain its original structure in hydrated ILs, the interaction of DNA aptamers with its target molecules has been investigated. As a first consideration, a thrombin-binding aptamer with an antiparallel G4 structure, namely 15-mer thrombin-binding aptamer (15TBA) and two different vascular endothelial growth factor 165 (VEGF) binding aptamers with parallel G4 structures, namely V7t1 and 3R02 were used [3]. Hydrated [ch][dhp] allowed the effective dissolution of these DNA aptamers while maintaining their G4 structure and binding affinity to the target molecule. On the other hand, change in the topology of DNA aptamers and the binding affinity were suggested in hydrated [ch][dhp] depending on the water contents. At the presentation, it will present the possibility of electrochemical detection of the binding between G4 and target molecules both in buffer solution and in hydrated ILs.
Reference

K. Fujita, H. Ohno, Chem. Rec., 23, e202200282 (2023).

K. Fujita, H. Ohno, Chem. Commun., 48, 5751 (2012).

K. Fujitta, T. Honda, K. Tsukakoshi, H. Ohno, K. Ikebukuro, J. Mol. Liq.
366, 120175 (2022).
Measurement of Cerium with Tyrosine-Functionalized EF-Hand Loop Peptide Bio-Electrochemical Sensor
Authors: Asaei Sogol , Renner Julie N. 
Published: December 2024

The detection of rare earth elements (REEs) holds significant importance in various practical applications, particularly in monitoring industrial waste streams and assessing environmental samples such as urine. EF-hand loop peptide sequences, known for their affinity to REE ions, present a promising avenue for developing user-friendly sensors to support these studies. This study focuses on modifying an EF-hand loop peptide to covalently bond to a gold electrode and incorporate tyrosine as an electrochemically active indicator of REE binding. It is anticipated that as REEs bind to the peptide, a conformational shift will occur, modulating the current exchange between the redox-active tyrosine moiety and the electrode surface.
Isothermal titration calorimetry and circular dichroism are employed to evaluate the binding of the modified sensing peptide to REEs, with cerium chosen as a model REE. Utilizing a quartz crystal microbalance and cyclic voltammetry, we demonstrate the binding of the designed peptide to cerium ions while immobilized on a gold surface. Tests conducted in artificial urine and potassium phosphate buffer, mimicking physiological conditions, reveal the sensor's efficacy in detecting cerium ions.
The binding affinity of the tyrosine-conjugated peptide to cerium ions in solution is presented by KD to be approximately 4 µM, while the gold-immobilized peptide exhibits an estimated KD for cerium ions of about 1.1 µM. The effectiveness of the redox-active sensing peptide is explored in an electrochemical sensing platform, where the peptide-modified biosensor, created through thiol binding onto gold working electrodes within a screen-printed sensor setup, shows a current response modulated by different concentrations of cerium.
The developed biosensor demonstrates good affinity and selectivity for cerium, as evidenced by calibration curves constructed within a biologically relevant range. Overall, this research introduces an innovative electrochemical biosensor capable of detecting REEs using cerium ions as a model. The combination of the electrochemical platform and the designed peptide aptamer allows for the selective detection of cerium in simple buffer solutions and artificial urine, with high affinity, at concentrations relevant to human health.
Thin-Shelled Hollow Mesoporous TiO2 Spheres with Less Tortuosity As Fast-Charging Anode
Authors: Hyeon Chang-Wan , Kim Chan Woo , Chun Sang-Eun 
Published: December 2024

Titanium dioxide (TiO2), abundant in nature and possessing excellent longevity characteristics, is gaining attention as a next-generation anode material for Li-ion batteries. However, compact stacking of TiO6 octahedra induces repulsion between the inserted Li ions, reducing rate performance and achievable capacity. Herein, we propose a hollow mesoporous electrode composed of TiO2 nanoparticles under 30 nm to enhance the interface between the electrode and electrolyte, facilitating the Li-ion movement and promoting a shorter diffusion distance for the inserted Li-ions. Furthermore, the formation of hollow structures enabled Li ions to enter and exit both inside and outside the hollow shell, facilitating rapid charging and discharging characteristics.
To produce this hollow mesoporous structure, TiO2 nanoparticles smaller than 20 nm synthesized by a sol-gel process were deposited on a spherical carbon support, and the support was subsequently removed. In particular, the thickness of the hollow shell was controlled to minimize the diffusional path area within the electrode through which Li ions move. Thin TiO2 shells facilitate ion migration via a reduced tortuosity while minimizing isolated pore formation, allowing D
Li+
of 3.22×10-11 cm2 s-1 to be attained, 40 times higher than that of bulk-type TiO2. With its rapid Li ion diffusion rate and thin shell, the TiO2 anode exhibited the 70% highest rate capability (10 C vs. 1 C) and a capacity of 221 mAh g-1 at 0.5 C (Fig. 1). The facile Li-ion transport enables the insertion of 0.66 mol Li ions per mole of TiO2 at 0.5 C and 67% rate performance (10 C vs. 0.5 C). When evaluating the rate capability in actual LIBs, a full cell assembled with a LiFePO4 cathode showed a rate performance of 60% (2000 mA g-1 vs. 50 mA g-1), outperforming the 40% for commercial bulk-type TiO2 in a full cell. Hollow mesoporous TiO2 provided a potential anode for fast-charging Li-ion batteries as a thin mesoporous shell allows for rapid ion insertion and extraction with the extended interface of electrode/interface.

Figure 1
(Digital Presentation) Study of Hexylamine Adsorption on a Gold Electrode
Authors: Ostapenko Gennady I. , Kalashnikova Nina A. 
Published: December 2024

The adsorption of hexylamine on a gold electrode in 1 M HClO4 in the presence of 0.1 M Fe2+ and 0.1 M Fe3+was studied by the impedance method. The presence of the Fe3+/Fe2+ redox couple makes it possible to reliably fix the equilibrium electrode potential. It is assumed that the effective electrode surface decreases during surfactant adsorption and the charge transfer resistance increases in proportion to the coverage of the electrode surface with the adsorbate1. Therefore, the oxidation-reduction reaction of iron inhibited here by surfactant adsorption.
In Figure 1, Nyquist diagrams are shown for solutions with different hexylamine contents. These curves are modeled satisfactorily by the equivalent circuit presented in Figure 2. Here RΩ is the electrolyte resistance, Rctis the charge transfer resistance, W is the Warburg diffusion impedance, CPE has the meaning of a frequency distributed double-layer capacitance.
It has been shown that the adsorption of hexylamine on gold is well described by the Dhar-Fleury-Huggens isotherm. Adsorption isotherm is plotted in Figure 3. The slope values are in good agreement with the theoretical unit slope as well. Extrapolation of the straight line to log cS = 0 gives the value of the adsorption constant Kad = ([15.8±5.0] L mol–1). The Gibbs free adsorption energy ΔGad = (–16.7±1.2) kJ mol–1. The relatively low adsorption free energy (less than –20 kJ mol–1) confirms the physical nature4 of hexylamine adsorption.

J.O’M. Bockris and A.K.N. Reddy, Modern Electrochemistry, Vol. 2, 2nd ed.; Kluwer Academic, Plenum Publishers, New York (2000).

G.I. Ostapenko and N.A. Kalashnikova, J. Electrochem. Soc.
169, 116502 (2022). https://doi.org/10.1149/1945-7111/ac9d07

J. Bastidas, J. Polo and E. Cano, J. Appl. Electrochem., 30, 1173 (2000). https://doi.org/10.1023/A:1004036430497.

E. Khamis, F. Bellucci, R. M. Latanision and E. S. H. El-Ashry, Corrosion
47, 677 (1991). https://doi.org/10.5006/1.3585307

Figure 1
Electrolytic Extraction of Transition Metals from Lithium-Ion Cathodes in Molten Hydroxide Salts
Authors: Lichtenstein Timothy , Gesualdi Jarrod , Moore Colin , Stariha Sarah 
Published: December 2024

We have developed an electrometallurgical recycling process that uses low melting temperature molten hydroxide salts to produce metals from lithium-ion battery materials. Existing commercial recycling processes typically use high temperatures, require high-purity reagents, and use coke as a reductant, which makes the processes expensive and CO2-emissions heavy1. Molten hydroxide salts can lower the required temperatures and emissions needed for extraction of critical materials from spent lithium-ion batteries.
Molten hydroxide salts are water-tolerant, oxyanion-conducting, and can be used as electrolytes for electrochemical extractions2. This water tolerance is unique among molten salts and enables oxyanion-based electrochemical reactions through the Lux-Flood acid-base equilibrium:
2OH- ↔ H2O + O2- (1)
Where water is the oxoacid and accepts oxyanions to form the hydroxide ion. Here, we leverage the unique properties of molten hydroxide electrolytes and demonstrate a one pot, two-step electrochemical extraction of critical metals from battery cathode materials. In the first step, lithium-ion cathodes are electrochemically reduced to form soluble oxides in the hydroxide melt. In the second step, the solubilized materials are reduced onto a separate cathode and recovered as an alloy. We will discuss test results for both process steps to recover Ni, Mn, and Co metal from both fresh NMC 622 and used cathode material (black mass). The effect of process conditions such as moisture content and operating parameters on the chemistry will be discussed.

B. MAKUZA et al., “Pyrometallurgical options for recycling spent lithium-ion batteries: A comprehensive review,” J. Power Sources 491 February, 229622, Elsevier B.V. (2021); https://doi.org/10.1016/j.jpowsour.2021.229622.

E. GÜRBÜZ et al., “Significance of Molten Hydroxides With or Without Molten Carbonates in High-Temperature Electrochemical Devices,” Front. Energy Res. 9 April, 1 (2021); https://doi.org/10.3389/fenrg.2021.666165.