bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enhancing Cesium Cation Exchange Efficiency Using Transition Metal-Based Core-Shell Prussian Blue Analogue-Carbon Nanofiber Composites
Authors: Kim Minsun , Kim Soonhyun , Eun Semin 
Published: December 2024

Electrochemical cation exchange processes are vital for diverse applications, including energy storage, catalysis, and environmental remediation. However, enhancing the efficiency of cation exchange with novel materials remains a challenge. Prussian blue (PB) is well-known to its excellent cation exchange properties, but improving its performance is necessary. To solve these problems, the use of various supporting matrices attach to PBA colloids has been reported such as zeolite, silica or carbon-based materials. In light of this, carbon-supported materials are particularly effective due to their unique microstructure and chemical stability, enabling rapid electron transfer. Among potential solutions, core-shell structured composites present a promising approach for enhancing electrochemical properties due to their unique architecture and synergistic effects.
In this study, we propose a method for synthesizing core-shell structured Prussian blue analogue-carbon nanofiber (PBA-CNF) composites using various transition metals (Fe, Ni, Co, Cu, Mn) via electrodeposition and evaluated their effectiveness in cesium cation exchange via electrochemical adsorption/desorption processes. The prepared samples are characterized using SEM, TEM, and XRD measurements. Electrochemical characterization confirmed distinct adsorption and desorption behaviors for each transition metal-based composite. In particular, Fe, Ni, and Cu-based PBA-CNF composites exhibited enhanced efficiency in both cesium adsorption and desorption compared to other PBA-CNF composites. This suggests the potential for effectively removing cesium from contaminated water sources. This study highlights the significance of transition metal-based PBA composites in resolving challenges associated with cesium contamination through electrochemical applications
Reactive Force Field for Atomistic Understanding of Interfacial Processes in Sulfide Electrolytes
Authors: Shreyas Varun , Jaishi Meghnath , Narayanan Badri 
Published: December 2024

All solid-state lithium-metal batteries (ASSLMBs) using sulfide electrolytes offer tremendous promise due to their increased safety and high theoretical specific capacity. Lithium argyrodites have emerged as a lucrative class of solid-state electrolytes (SSEs) for ASSMLBs, owing to their high Li-ion conductivity (~10-4–10-3 S/cm), good elastic stiffness (~30 GPa), and low flammability. The Li-ion conduction pathways in single-crystalline compounds are typically examined using ab initio molecular dynamics (AIMD) simulations. However, the real-world materials have an added complexity of accounting for grain boundaries (GBs), which makes the AIMD simulations computationally expensive. To circumvent this limitation, we developed a novel ReaxFF interatomic potential, an empirical bond-order based force field, to investigate the effect of GBs on the Li-ion conductivity in argyrodite electrolytes. To carry out the fitting procedure, we used the fundamental static properties such as lattice parameters, heats of formation, elastic constants, surface energies, and equation of states in order to find the best set of ReaxFF parameters for LiPS system. All the static properties used in the fitting process were calculated using the periodic density functional theory. ReaxFF produced lithium diffusion maps of Li7PS6-LT and Li7PS6-HT clearly reproduces the formation of lithium diffusive cages around the sulfur atoms which validates the accuracy of the ReaxFF potential.
At the atomic scale, we characterized the energetics, composition, and transport properties of three low-energy (Σ3 and Σ5) symmetric tilt GBs in lithium argyrodites. Our findings indicate that the presence of GBs impede the diffusion of Li ions. The activation energies for Li-ion conduction crossing the grain boundaries are consistently higher than that of the bulk crystal which confirms the significant grain boundary resistance in this material. We also formulate a polycrystalline model to quantify the atomistic effects of the grain boundaries. In this talk, we have explored these results to critically understand the role of grain boundaries on Li conductivity, and how altering the microstructure can be utilized to optimize new high-performance SSEs for emerging ASSLMBs.
Effects of Aromatic Surfactants on Tin Electrodeposition
Authors: Fryer Algene , Huang Qiang 
Published: December 2024

As the technology of quantum computing continues to develop, the necessity of finding materials that can be used to integrate the superconducting 3D architecture becomes more essential1. The electrodeposition of metals demonstrates an attainable way to manufacture vertical superconducting interconnects. In particular, Sn is one of the promising candidates to use because of its relatively high superconducting transition temperature (Tc) at 3.7 K, as well as its excellent manufacturability and self-passivation2. To ensure a void-free filling of the via like structure, organic additives that can function as suppressors, accelerators, or levelers will be needed to tune the deposition rate in the structure. While multi-additive systems have been used to control the deposition and the fabrication of conventional Cu interconnect structures, in other cases it has been demonstrated that a single additive can also enable the filling of Cu vias by suppressing the deposition at a certain range of potentials with a breakdown of the suppression occurring at another range3-4. Because of the importance of suppressive additives used in superconformal deposition, this work looks to explore the relationship between the degree of aromaticity and the level of suppression in additive assisted electrochemical deposition of Sn. Organic surfactant molecules including Igepal CO 520 and ethoxylated α-napthalenesulfonic acid (ENSA-6) are used for the comparative study in acidic stannous sulfate electrolytes.
The effects of the additives on the deposition are studied using cyclic voltammetry and chronoamperometric measurements. Both Igepal and ENSA-6 were able to suppress the deposition of tin while additives with similar molecular weight but no aromatic rings appear to have little impact. Furthermore, the suppression increases with concentrations of the additives, with varying degrees of aromaticity showing a slight difference in suppression strength. Finally, the adsorption and desorption of the additives as well as the deposition transients are studied by varying voltage sweep rate and electrode agitation, the results will be discussed in details.

References

Yanay, Y., Braumüller, J., Gustavsson, S., Oliver, W. D., & Tahan, C. (2020). Two-dimensional hard core Bose–Hubbard model with superconducting qubits. Npj Quantum Information, 6(1).

Huang, Q. (2023). Superconductivity of electrodeposited Sn films. Journal of The Electrochemical Society, 170(3), 032506.

Radisic, A., Lühn, O., Philipsen, H. G. G., El-Mekki, Z., Honore, M., Rodet, S., Armini, S., Drijbooms, C., Bender, H., & Ruythooren, W. (2011). Copper plating for 3D interconnects. Microelectronic Engineering, 88(5), 701–704.

Moffat, T. P., & Josell, D. (2012a). Extreme bottom-up superfilling of through-silicon-vias by damascene processing: Suppressor disruption, positive feedback and Turing patterns. Journal of The Electrochemical Society, 159(4).
Electrifying Sulfate Waste: A Sustainable Approach to Chemical Production and Gigaton-Scale Carbon Dioxide Removal
Authors: Jimenez-Villegas Santiago , Kim ChulOong , Delima Roxanna , Lammers Laura 
Published: December 2024

Billions of tons of rock is processed every year by the mining industry to supply critical elements such as lithium, copper, and nickel for energy storage and phosphorus to the fertilizer industry. To date, the conventional extractive processes used by mining companies have been adequate in meeting global demands, albeit at the expense of the environment. The exorbitant quantities of waste (e.g., tailings and waste rock) produced by the extraction process have detrimental effects on ecosystems and surrounding communities, including the release of toxic metals and the onset of acid drainage.
Travertine Tech. has developed an innovative process for gigaton-scale carbon capture and sequestration that leverages sulfate waste from the mining and fertilizer industries. The process is driven by a salt-splitting electrolyzer that simultaneously generates sulfuric acid at the anode and sodium hydroxide at the cathode, using renewable energy. Sulfuric acid aids in extracting critical elements, while the generated base reacts with sulfate waste and atmospheric carbon dioxide to permanently sequester CO2 as carbonate minerals (via carbon mineralization). An increased demand for critical elements over the next several decades (particularly for energy storage and fertilizer applications) will supply sufficient waste to capture CO2 at the gigaton per year scale. Notably, for every ton of sulfuric acid produced, 0.45 tons of CO2 are permanently sequestered as carbonate minerals. This poster will present Travertine’s process—a transformative and economically viable solution to both climate change and resource sustainability.
Effect of Applied Voltage Value on Lithium 6 Isotope Enrichment By Intermittent Voltage Application Electrodialysis Method
Authors: Shin-mura Kiyoto , Fukusaka Takeru , Tokuyoshi Ryoya , Kitada Ayumi , Segami Yukari , Kato Kaito , Tazoe Hirofumi , Sasaki Kazuya 
Published: December 2024

Thermonuclear fusion power generation assumes a nuclear fusion reaction between deuterium and tritium. Deuterium is abundant in seawater, and it is assumed that it can be recovered from there. Tritium rarely exists in nature. Therefore, tritium must be produced through a nuclear fission reaction between lithium and neutrons. Lithium exists stably in nature in the states of lithium 6 (6Li) and lithium 7 (7Li), and the isotope ratio is 6Li/7Li = 7.6/92.4. From the perspective of lithium production rate and energy balance, it is necessary to supply lithium with an isotope ratio of 6Li/7Li ≥ 90/10. The mercury amalgam method is the only practical method, but it has a large environmental impact [1]. Therefore, new 6Li isotope enrichment methods are being explored. One promising method is electrodialysis. Hoshino et al. reported that 6Li isotope enrichment could be achieved by electrodialysis using a porous polymer membrane impregnated with a liquid electrolyte [2, 3]. We have previously reported that 6Li isotope enrichment efficiency can be improved by applying a voltage with an appropriate intermittent profile to the front and back surfaces of the diaphragm of a lithium-ion conductive solid electrolyte membrane [3]. Here we investigated the effect of applied voltage during intermittent profile electrodialysis on isotope enrichment rate and lithium transfer rate. The isotope enrichment rate was determined by inductively coupled plasma mass spectrometry. In continuous voltage application, the 6Li isotope enrichment rate decreased as the applied voltage increased, but in intermittent voltage application, the 6Li isotope enrichment rate did not decrease as the applied voltage increased. Increasing the applied voltage increased the lithium transfer rate.
[1] S. C. Brooks, G. R. Southworth, Environmental Pollution, 159, (2011) 219−228.
[2] T. Hoshino, T. Terai, Fusion Eng. Des., 86(9-11), (2011) 2168-2171.
[3] T. Hoshino, T. Terai, J. Nuclear Materials, 417, (2011) 696-699.
[4] S. Honda, K. Shin-mura, K. Sasaki, J. Ceram. Soc. JPN, (2018) 331-335.
Electrochemical Ammonia Synthesis at Intermediate Temperatures Using Solid-State Phosphate Electrolyte
Authors: Nakashima Yamato , Tada Shohei , Kikuchi Ryuuji 
Published: December 2024

As we aim to realize a carbon-neutral sustainable society and a CO2-free society, methods of converting renewable energy into hydrogen and then further into a hydrogen carrier with high energy density are attracting much attention. Among various energy carrier materials, ammonia is regarded as a promising candidate, which has a high hydrogen content and is easy to transport and store. Currently, ammonia is industrially produced by the Haber-Bosch process under high-temperature and high-pressure conditions, which is energy intensive and has a large environmental impact. Therefore, in this study, we focused on electrolytic synthesis under mild conditions.
Due to the operating temperature constraints of the electrolyte, ammonia electrosynthesis is mainly classified into three temperature ranges: low temperature range below 100℃, high temperature range above 500℃, and medium temperature range from 100℃ to 500℃. Since ammonia synthesis from hydrogen and nitrogen is exothermic, synthesis at a low temperature is thermodynamically advantageous, but the disadvantage is that the reaction rate is limited because N2 molecules are difficult to active at low temperatures. On the other hand, although NH3 synthesis proceeds at a high reaction rate in the high temperature range, decomposition of ammonia in the reverse reaction is also likely to occur, leading to low equilibrium conversion of N2. Based on these considerations, we target NH3 synthesis in the intermediate temperature range, which is expected to have both the advantages of the low-temperature and high-temperature types, namely thermodynamic and kinetic advantages. In addition, ammonia synthesis was performed using a solid-state phosphate electrolyte that exhibits high proton conductivity and stability in the intermediate temperature range, and research focus was posed on cathode catalysts to raise the ammonia production rate and faradaic efficiency simultaneously. In this study, we have investigated Fe, which has a high dissociation activity for nitrogen molecules, and the first candidate for the cathode catalyst was a composite catalyst of Fe and yttrium-doped barium zirconate (BZY), that had shown the yield rate and faradaic efficiency at 220℃ and ambient pressure. [1]
First, ammonia electrosynthesis was performed using Fe/BZY-Ru as cathode catalyst, in which RuO2 was added to Fe/BZY to maintain the reduced state of Fe. The highest NH3 yield rate of 2.7x10-10 mol (s cm2)-1 was achieved at -1.5 V (vs. open-circuit voltage (OCV)) and the highest faradaic efficiency of 0.3% was achieved at -0.5 V (vs. OCV). This low faradaic efficiency was thought to be derived from H2 generation as a side reaction of NH3 generation, so we started electrosynthesis using Fe/BZY without RuO2 as a cathode catalyst. As a result, the faradaic efficiency of 4.8％ was achieved at -1.5 V (vs. OCV) with the NH3 yield rate of 2.1x10-10 mol (s cm2)-1.
[1] Y. Yuan, S. Tada, R. Kikuchi, Mater. Adv., 2, 793 (2021).
(Keynote) Atomic Layer Processing in Semiconductor Research and Development
Authors: Metz Matthew V. 
Published: December 2024

As semiconductor process technology has evolved from node to more advanced node, continued atomic layer processing innovations in materials and hardware have improved film quality, device performance and overall cost. In this talk, Intel will cover atomic layer processes and where they have been critical to the high-volume manufacturing of transformational new semiconductor products.
As the semiconductor industry moves into the gate all around RibbonFET era, atomic layer control is required across more layers with ever increasing geometric complexity. New device architectures institute hard limits on film thickness which make atomic layer processes ideal. In fact, for some applications, the low growth per cycle or etch per cycle of atomic layer processes are required to achieve the fine control needed for optimal device performance. Other traditionally used deposition techniques will not be able to scale to these new devices; atomic layer processes will need to step in by delivering high quality dielectrics, metals and semiconductor materials into smaller, more complex device shapes. These materials are often multi-component and require precise compositional control, including that of dopants. Next generation devices are increasing multi-colored meaning that an increasing variety of materials are found in close proximity to each other. The ability to selectively place materials only where needed, through intrinsically selective processes, inhibitor chemistries and/or subsequent selective etch techniques can enable new structures and reduce patterning costs. Molecular layer deposition of EUV photoresists is also being explored to introduce high absorptivity elements for next generation lithographic patterning. These challenges, and the resultant opportunities, will be magnified as coplanar CMOS nanoribbon devices are replaced with stacked nanoribbon architectures.
Finally, we will cover the largest opportunities for future devices, covering needs for atomic layer processes for the integration of two-dimensional materials, e.g., graphene or transition metal dichalcogenides, and the emerging field of epitaxial complex oxides for ultra-low energy devices which necessitate the development of chemical vapor phase etches of non-traditional materials for the semiconductor industry.
(Digital Presentation) Investigation of Nanoconfined Wet Etching Mechanism Using MD Simulation
Authors: Yoshida Yuki , Nakano Takeo , Kumari Sangita , Hu Shan , D’elia Peter 
Published: December 2024

With the advancement in semiconductor technology, sophisticated multidimensional geometries are being formed resulting in nonconfined spaces. Wet etching these nanoconfined spaces uniformly across different CD sizes is challenging. Typically, etch (ER) decreases with decrease in CD size. One of the reported mechanisms to explain this behavior is the overlapping of electrical double layer (EDL) which prevents the etchants from entering to the nanochannels. In our previous experimental work, we reported a reverse ER trend (ER increase with decrease in CD size) of SiO2 using HF in organic as medium compared to water as medium. These results suggested that EDL model alone cannot explain the full mechanism and other factors need to be considered. Hence, molecular dynamics (MD) simulations are used to explain the mechanism of nanoconfined etching of SiO2 in water and organic solvent.
Fig.1 shows the MD simulation result of the number density distribution of diluted HF at the solid-liquid interface in a nanoconfined spaces. When water is the solvent, HF molecules are strongly adsorbed in the solid interface. However, with the organic solvent, the HF molecules are more uniformly distributed in the volume near the surface. As the CD becomes smaller, the HF molecular density in the intermediate region in the space tends to decrease in the aqueous solution and increase in the organic solution. Next, we calculated the diffusion time of HF molecules in the nano-confined trench using the MD simulations, where we found that HF molecules have a faster diffusion time in water than in the organic solvent. This is due to the difference in the interaction between the solid interface, the HF molecules, and the solvent in addition to the viscosity of the solvent.
Using EDL model and etching reaction, here we report the wet etching mechanism of nanoconfined spaces from the MD simulation result.

Figure 1
Investigation on Characteristics of in Situ Boron-Doped Sige Epitaxy below 600℃
Authors: Yoon Dongmin , Jung Seonwoong , Shin Hyerin , Oh Seokmin , Kim Jungwoo , Ko Dae-Hong 
Published: December 2024

Boron-doped SiGe is widely used as a source/drain (S/D) material in p-type metal-oxide–semiconductor field-effect transistors (FETs). With the advent of strain engineering in 90-nm node technology, selective epitaxial growth (SEG) with in situ doping has become a standard process for S/D material formation and continues to be employed in advanced architectures such as FinFETs and gate-all-around FETs. Traditionally, SiGe SEG processes have been conducted at temperatures above 600℃ [1]. However, the growing demand for low-temperature processes has led to increased interest in boron-doped SiGe epitaxy below 600℃. For example, to reduce S/D contact resistivity, highly doped SiGe epitaxy has been proposed in post-gate processes where low temperatures are crucial to prevent deformation of high-k oxide/metal gates [2]. Additionally, in monolithic complementary FETs—considered for sub 1-nm node logic device—low-temperature processing is required to minimize the thermal influence on the bottom FET during S/D formation for the top FET [3].
This study investigates in situ boron-doped SiGe epitaxial layers grown in an ultra-high vacuum chemical vapor deposition system at temperatures below 600℃. The focus of this study is to understand the growth characteristics of films by analyzing how different growth conditions affect film properties. Secondary ion mass spectrometry was employed to measure the chemical concentrations of boron and germanium in the films. High-resolution X-ray diffractometry was used to calculate the lattice parameters of the boron-doped SiGe films, allowing determination of substitutional boron concentrations, which were then compared to chemical boron concentrations. In addition, atomic force microscopy was used to analyze the surface morphology of the films. These analyses provide a comprehensive investigation of the overall film properties and growth characteristics of boron-doped SiGe films grown at temperatures below 600℃.

Acknowledgments

This work was supported by the Technology Innovation Programs (RS-2023-00235609) funded by the Ministry of Trade, Industry & Energy (MOTIE, Korea).

References

[1] Hartmann, J. M., et al. "Selective epitaxial growth of boron-and phosphorus-doped Si and SiGe for raised sources and drains." Journal of crystal growth1-3 (2004): 36-47.
[2] Breil, N., et al. "Contact cavity shaping and selective SiGe: B low-temperature epitaxy process solution for sub 10-9 Ω. cm 2 contact resistivity in nonplanar FETs." 2023 IEEE Symposium on VLSI Technology and Circuits (VLSI Technology and Circuits). IEEE, 2023.
[3] Subramanian, S., et al. "First monolithic integration of 3d complementary fet (cfet) on 300mm wafers." 2020 Ieee Symposium on Vlsi Technology. IEEE, 2020.