bluuebunny/crossref_metadata_2025_split huggingface dataset:
Novel DNA-Based Polymer Solid Electrolytes for Lithium-Ion Batteries
Authors: CHENG Xiong , LI Man , Li Yang , Song Seunghyun , Vallem Sowjanya , Bae Joonho 
Published: August 2024

Solid electrolytes are becoming increasingly popular due to their safety [1], and the application of organic biomolecules in electrochemical devices is also an important strategy for sustainable development [2]. Recently, we have studied the application of DNA in electrochemical energy storage devices [3]. A novel PVDF@DNA solid polymer electrolyte was designed in this work, we studied the effect of different DNA addition amounts on polymer solid electrolytes. DNA as a plasticizer-like additive, reduces the crystallinity of the polymer solid electrolyte and improves its ionic conductivity [4]. At the same time, due to the Lewis acid effect of DNA, it can promote the dissociation of lithium salt when interacting with lithium salt anions, and it can also fix the anions, causing more free lithium ions in the electrolyte, thus improving its ionic conductivity. The polymer solid electrolyte with DNA shows relatively better performance. Hence, the DNA-based polymer solid electrolyte fabricated in this study has substantial potential for application in LSBs.
Acknowledgement
This work was supported by the National Research Foundation of Korea (NRF-2021R1A2C1008272). This work was supported by Ministry of Trade, Industry and Energy, KEIT, under the project title "International standard development of evaluation methods for nano-carbon-based high-performance supercapacitors for electric vehicles" (project # 20016144).
References
[1] Liang J. et al. Recent progress on solid-state hybrid electrolytes for solid-state lithium batteries. Energy Storage Materials 21 (2019) 308-334.
[2] Dutta, D. et al. N7-(carboxymethyl)guanine-Lithium Crystalline Complex: A Bioinspired Solid Electrolyte. Scientific Reports 6 (2016) 24499.
[3] Xue Y. et al. DNA-directed fabrication of NiCo2O4 nanoparticles on carbon nanotubes as electrodes for high-performance battery-like electrochemical capacitive energy storage device. Nano Energy 56 (2019) 751–758.
[4] Li Z. et al. Ionic Conduction in Polymer-Based Solid Electrolytes. Advanced Science 10 (2023) 2201718.
Tracking Degradation of Sulfolane-Based Electrolytes in 5 V LNMO Cells
Authors: Pechberty Clément , Johansson Patrik 
Published: August 2024

Lithium-ion batteries (LIBs) are today the most used energy storage for portable electronics and electric vehicles – but are laden with concerns of materials scarcity and availability, alongside performance and cost. The development of high-voltage cobalt-free cathode active materials, such as LiNi0.5Mn1.5O4 (LNMO), represents one promising route for next-generation LIBs, due to a combination of high capacity and low cost. Combining LNMO with conventional LIB electrolytes, based on carbonate solvents, however, typically leads to severe capacity fading due to a range of different degradation mechanisms1, not the least due to the high electrochemical potential reached during charge, up to 5 V vs. Li+/Li°.
Here we use a range of sulfolane-based electrolytes to improve the stability2 and track the degradation by intermittent current interruption (ICI), which is a rather new protocol to determine the internal resistance of battery cells during cycling3. The ICI data is presented in the form of heat maps, in order to better visualize the variation of internal resistance as function of the cell voltage. Furthermore, Raman spectroscopy is used to identify the decomposition products resulting from the degradation and the data is correlated with the ICI data. Overall this allows us to shine further light on the prospects of sulfolane-based electrolytes for 5 V cells as compared to conventional LIB electrolytes such as e.g. LP40.
References

Guo, K. et al. High‐Voltage Electrolyte Chemistry for Lithium Batteries. Small Science
2, 2100107 (2022).

Xu, J. Critical Review on cathode–electrolyte Interphase Toward High-Voltage Cathodes for Li-Ion Batteries. Nano-Micro Letters vol. 14 (2022).

Yin, L. et al. Implementing intermittent current interruption into Li-ion cell modelling for improved battery diagnostics. Electrochim Acta
427, (2022).
Hybrid Aerosol Jet Printing and Electrodeposition of Ferrite-Sandwiched Inductors
Authors: Manzi Jacob , Sui Yongkun , Tarantino Joshua , Tsui Lok-kun , Neely Jason , Lavin Judith Maria 
Published: August 2024

The additive manufacturing (AM) of inductors of suitable size to be integrated into packaged electronics is attractive to customize the device characteristics for the specific application. Magnetic ferrite cores are widely used in conventional inductors, however, wire wound inductors can be brittle, heavy, bulky. Planar spiral inductors in a sandwich configuration present a promising alternative. Aerosol jet printing, a direct write AM technology, can deposit metal inks at a resolution of < 10 µm. Metal nanoparticle inks have limited conductivity at < 40% bulk. Building a higher profile may result in loss of resolution. Electrodeposition offers the ability to plate thick layers of highly conductive metals, including copper and nickel which are normally hard to access as nanoparticle inks compatible with aerosol jetting. We have previously shown the construction of a multi-layer flyback transformer with this hybrid aerosol jet and electrodeposition method. [1]
We present a three-layer planar inductor with the first layer being a 1.3mm stack of ferrite sheets (Fair-Rite) with a 9 mm x 9 mm footprint integrated onto a circuit board. The intermediate layer consists of a spiral inductor made by aerosol jet printing UTDots Ag40X silver nanoparticle ink as the seed layer. To achieve high accuracy, the inductor was printed with a rotary axis stage. Electrodeposition in an acidic CuSO4 plating bath on top of the Ag seed layer resulted in thicknesses of 50 µm. A submicron layer of Ni is added for oxidation protection by electrodeposition from a Ni-Sulfamate bath. Lastly, a top 1.3 mm ferrite stack, with laser cut holes, is added to provide pass throughs for wire bonding. Figure 1 shows a micrograph of an inductor as printed, after electrodeposition, and with the top ferrite layer. Electrical measurements including impedance characteristics will be presented.
SNL is managed and operated by NTESS under DOE NNSA contract DE-NA0003525. The SAND No. is SAND2023-14571A.
Figure 1. Construction of a ferrite-sandwiched inductor with (a) the aerosol jet printing of an Ag seed layer, (b) after electroplating of Cu and Ni.

References: [1] Tsui, L.; Hartmann, T. M.; Dye, J.; Lavin, J. M. IEEE Trans. Components, Packaging, and Manufacturing Tech. (2023), 13, 8, 1302-1309.

Figure 1
A Comparative Study of Numerical Methods for Lithium-Ion Battery Electrochemical Modeling
Authors: Lucero Joseph Neil , Xu Le , Cooper Julian , Allam Anirudh , Onori Simona 
Published: August 2024

Lithium-ion battery (LIB) with high specific energy density and long cycle life is one widely used energy storage technology. In order to ensure longevity and safety of the battery system, a battery management system (BMS) that relies on battery model is required. With the development of BMS technique, more attention has been given to electrochemical models that provide insights into the battery internal states. In general, battery electrochemical models consist of partial differential equations (PDEs) describing the thermodynamic and electrochemical process inside the cell, and those PDEs can only be solved numerically due to their complexity.
Existing battery simulation software utilize numerical methods such as finite difference method (FDM), finite volume method (FVM), and finite element method (FEM) to solve PDEs in battery models. However, there are little discussions for the selection of a specific numerical methods. In our recent study [1], we compare two spatial discretization methods commonly used to numerically solve the governing PDEs of LIB electrochemical models, namely FDM and FVM, in terms of model accuracy and mass conservation guarantee. First, we provide the mathematical details of the spatial discretization process for both FDM and FVM to solve the battery single particle model (SPM), this result has not been shown in any publication before. Second, we propose a new Hermite extrapolation based FVM scheme leading to higher accuracy when compared to the normally used linear extrapolation based FVM scheme. Then, SPM parameters are identified using experimental data, and a comprehensive parameter sensitivity analysis is conducted under different current input profiles to study parameter identifiability. Finally, model accuracy and mass conservation analysis of the FDM and FVM schemes are presented. Our study shows that the FVM scheme with Hermite extrapolation leads to accurate and robust control-oriented battery model while guaranteeing mass conservation and high accuracy. Also, the proposed new FVM scheme can be extended to solve other battery models, such as SPM model with electrolyte and Doyle-Fuller-Newman model. Moreover, we provide findings of mass conservation analysis for FDM and FVM schemes, which we hope can facilitate BMS model selection.
References
[1] Xu, L.; Cooper, J.; Allam, A.; Onori, S., "Comparative Analysis of Numerical Methods for Lithium-Ion Battery Electrochemical Modeling," Journal of The Electrochemical Society, 2023. 10.1149/1945-7111/ad1293
Numerical Investigation on Two-Phase Flow-Electrochemical Reaction Coupling in PEM Water Electrolyzers Porous Transport Layer Under High Operating Pressures
Authors: Yang Qiu , Zhang Ruiming , Sui Pang-Chieh 
Published: August 2024

Proton exchange membrane water electrolyzers (PEMWEs) operated at high pressures have advantages such as lower energy consumption, reduced noise, and absence of component slippage. They have a more robust potential for commercial applications than other electrolyzers. The transport characteristics of two-phase flow within the porous transport layer (PTL) and channels are not well understood, especially under high-pressure conditions. The gas bubbles generated in the catalyst layer (CL) pass through the PTL and reach the flow channel. However, oxygen evolution reaction in the anode CL may be limited if these bubbles block the pathway of liquid water, causing reactant starvation. The interaction between electrochemical reactions and gas bubbles thus directly impacts a PEMWE's efficiency. This study aims to investigate the coupling between the two-phase flow and electrochemical reactions under high-pressure conditions.
A two-dimensional (2D) CFD model was developed to simulate the bubbly flow through a reconstructed PTL. The volume of fluid (VOF) method was employed to capture bubble growth, movement, and detachment, as illustrated in Figure 1. The coupling of bubble transport and electrochemical reactions was achieved through the application of a weighted averaging method. A cross-section of a stochastically reconstructed titanium felt model was generated as the computational domain; see Fig. 1(a). The computation domain consists of a liquid water channel, a PTL, and a simplified CL interface at the bottom. The CL's reaction rate is modeled as a function of local bubble coverage on the CL interface. Transient simulations of the two-phase flow of the PEMWE anode side were carried out for pressures ranging from 1 bar to 200 bar. The simulation results elucidate the flow characteristics of liquid water in the PTL under high-pressure conditions and quantitatively reveal the coupling between two-phase flow and electrochemical reactions. The behavior of the two-phase flow in PEMWE is found to be sensitive to operating pressure. As the operating pressure increases, the size of bubbles generated on the CL interface decreases, resulting in a higher permeability of liquid water than that under low pressures. When the flow rate of liquid water in the channel is sufficiently high, bubbles do not fully develop and are rapidly removed from the domain. This phenomenon significantly shifts the two-phase flow regime within the channels,. Furthermore, the activation overpotential is substantially reduced under high-pressure conditions. The present study demonstrates a numerical simulation tool for high-pressure PEMWE. A future study of a full 3D PTL model is currently underway.

Figure 1
(Invited) On the Importance of the Catalyst- and Porous Transport Layer Interface on Pewe Performance
Authors: Buechi Felix N. , Weber Carl Cesar , Schuler Tobias , Wrubel Jacob A , Bender Guido 
Published: August 2024

The need to develop polymer electrolyte water electrolyzers with minimum amounts of precious materials, in particular those from the platinum metal group, but conserving high performance needs development and optimization of many materials and components.
The interface between the catalyst- and porous transport layers (PTL) is in this respect particularly important as it seems to have a strong influence on the current density distribution, the IrO2 catalyst utilization and it’s mass activity. All of these parameters should be optimized.
The presentation reviews the effects of PTL structures on the decisive limitations, explains improvements and tries to make a look into the future.
Understanding in-Plane Movement of Iridium in Proton Exchange Membrane Electrolyzer after Accelerated Stress Test
Authors: Ebrahimpour tolouei Nadia , Chabot Florian , Zhu Gaohua , Zenyuk Iryna 
Published: August 2024

In the rapidly evolving field of clean energy, proton exchange membrane water electrolyzers (PEMWEs) stand at the forefront, heralding a new era of sustainable hydrogen fuel production. PEMWEs need to operate for at least 10 years and material degradation is a challenge that needs to be overcome. Here we use H2NEW accelerated stress (AST) protocol to degrade 5 cm2 PEMWE cell having low iridium loadings on the anode side. Using X-ray fluorescence (XRF) mapping, we first assessed the iridium distribution at the beginning of life (BOL) of the electrolyzer cell and then afterwards at the end of life (EOL). Regular electrical characterization with specific time intervals was conducted, such as collection of polarization curves, electrochemical impedance spectroscopy and cyclic voltammetry. Identical location was selected for iridium mapping. To complement XRF mapping, we also conducted X-ray diffraction (XRD) studies at the BOL and at the EOL. XRD reveals the crystalline structure and phase transitions of iridium, crucial for understanding how iridium’s atomic arrangement adapts to operational stresses. This comprehensive approach, combining XRF and XRD, aims to provide a multifaceted view of iridium’s behavior, distribution, and structural changes from the BOL to EOL. This research aims to unravel the behavior of iridium after AST, particularly whether it migrates into the ionomer, moves to the cathode, or undergoes other transformational shifts.
Figure 1.micro-XRF map of iridium distribution on the anode of the PEMWE at the BOL. The map is 2 mm x 2 mm.

Figure 1
(Invited) Understanding the Effect of Cell Assembly and Operation on AEM Electrolyzer Performance and Durability
Authors: Amirsalehi Mahmoud , Gopi K Hari , Mustain William Earl 
Published: August 2024

Water electrolysis to produce hydrogen is gaining significant attention due to a significant decrease in the cost of renewable energy sources such as solar, wind, and tidal etc. Among the existing water electrolysis technologies, anion exchange membrane water electrolysis has recently emerged due to its potential advantages over proton exchange membrane electrolysis and traditional alkaline electrolysis. Anion exchange membrane electrolyzers (AEMELs) can allow for the use of PGM-free electrocatalysts and low-cost component materials due to its less corrosive alkaline environment while also enabling electrochemical H2 compression.
An overwhelming majority of the research that is going on related to AEMELs is the synthesis of advanced functional nanomaterials – e.g. new catalysts and membranes. Though these are critically important components of the cell, their function is supported by a multitude of other factors. For example, it is well-known that water and gas transport in the electrodes is highly dictated by the porous transport layers. The electrode fabrication technique controls the electrode morphology. The synthesis method for the catalyst determines its porosity and structure. The cell gasketing controls compression. The operating current density and temperature affect stress at the material and electrode level, and dictate other properties such as exchange current, ionic conductivity, water uptake, diffusivities, etc. Many of these properties are less reported and will be the subject of this presentation.
This presentation will focus on understanding how various decisions that are made regarding electrode fabrication, cell assembly and cell operation affect the operating voltage and voltage stability of AEM electrolyzers. The goal of this talk is to combine electrochemical and physical characterization data to develop a series of guiding principles for AEMEL operation that can be used across polymer chemistries and catalyst selection.
(Invited) A Hybrid Electrochemical and Catalytic Compression System for Direct Generation of High-Pressure Hydrogen at 350 Atmospheric Pressure
Authors: Xiang Chengxiang("CX") 
Published: August 2024

Hydrogen is becoming the center piece in the global de-carbonatization efforts in multiple industrial sectors. Gaseous hydrogen at high pressures in gas tanks is the most common approach for H2 storage, transportation and hydrogen refueling for fuel cell vehicles. Gaseous hydrogen at high pressures is also heavily used in the Haber process for ammonia production and hydro-cracking of heavy petroleum. In the long term, low-cost high pressure H2 will also play a critical role in the future long-duration grid storage for deep decarbonization and improved resilience.
In this talk, I will share some recent development on a hybrid electrochemical/catalytic approach for direct generation of high-pressure H2 in collaboration with Pacific Northwest National Laboratory (PNNL). The hybrid system oxidizes water to oxygen at the anode, reduces V3+ to V2+ at the cathode, and stores proton in the catholyte during the “electrochemical charging” step. We demonstrated that the charged catholyte is then capable of generating H2 at >350 bar in the subsequent “catalytic discharging” step without any additional energy input. This concept leverages the electrochemical Nernst potential difference between the redox couple (V2+/3+) and the hydrogen evolution reaction and delivers a unique system that is capable of generating H2 at demand and at high pressure without any mechanical or electrochemical compression. We estimate a cost of <$0.19/kg-H2 for compression, representing >80% of the cost reduction compared to the traditional multi-stage compressor approach.
Application of Fe3O4@MoS2 & Co@MoS2 for Electrocatalytic Nitrogen Reduction Reaction Under the Magnetic Field
Authors: Wang Shao-Che , Wang Shao-Che , Ho Chia-Chen , Li Shao-Sian 
Published: August 2024

Ammonia, one of the most essential raw ingredient for fertilizers, pharmaceuticals and neutralization. However, the widespread production of ammonia heavily depends on the Haber-Bosch process, which entails substantial use of fossil fuels due to the demanding reaction conditions involving high pressure and temperature. Consequently, finding a sustainable method for synthesizing ammonia becomes crucial in addressing environmental pollution and mitigating energy crises.
In order to improve the efficiency of ammonia production, using materials with high catalytic activity is an important factor. Traditional noble metals are recognized as the best catalytic materials. Nevertheless, the high cost and rarity of noble metals make their development and application has haven limited a lot. In recent years, two-dimensional materials attracted the attention of scientists in the field of catalysis. Among them, Molybdenum disulfide has a unique crystal structure and properties. Therefore, we aim to create a heterostructure by doping Co or incorporating Fe3O4 into MoS2, resulting in a material with either paramagnetic or ferromagnetic properties. We intend to observe the electrochemical performance of these materials under an applied magnetic field to further substantiate the influence of the magnetic field on electrocatalytic performance.
Eventually, we successfully improved the performance of Nitrogen Reduction Reaction under the magnetic field. In the test of electrochemical performance at -0.04V (vs. RHE), we successfully increased the Faradaic efficiency of Fe3O4@1T-MoS2 from 32.67 to 37.16. Simultaneously, we elevated the Faradaic efficiency of Co@1T-MoS2 from 22% to 35%. From the result, we further confirmed that with the adding of magnetic field our catalyst can reach a better NRR performance.

key word: nitrogen reduction reaction, Fe3O4@1T-MoS2, Cobalt-doped 1T phase molybdenum disulfide, magnetic field
(Invited) Evolution of Single Atom Catalysts during CO2 Electrocatalytic Reduction
Authors: Roldan Cuenya Beatriz 
Published: August 2024

The re-utilization of CO2 via its electrocatalytic reduction (CO2RR) into value-added chemicals and fuels is a promising avenue to minimize the impact of existing technologies on the climate change. This requires the development of low cost, efficient, selective and durable electrocatalysts based of their rational understanding. Moreover, it should be considered that even morphologically and chemically well-defined pre-catalysts can be susceptible to drastic modifications under operation, especially when the reaction conditions themselves change dynamically.
This talk will address the transformations that Metal-N-C catalysts (M=Cu, Ni, Co, Fe, Sn, Zn) experience during static and pulsed CO2RR using operando quick X-ray absorption spectroscopy (XAS) and Raman spectroscopy. In particular, I will illustrate the astonishing behaviordisplayed by Cu-N-C catalystsduring CO2RR, featuring reversible transformations from single atom sites towards Cu nanoparticles. The switchable nature of these species that can be achieved by applying different potential pulses holds the key for the on-demand control of the distribution of the CO2RR products and thus, a wide-spread adoption of this process.
Moreover, I will elucidate the nature of the ligands forming under CO2RR at singly dispersed Ni sites in Ni-N-C catalysts, which are currently drawing great attention for their high performances in the CO formation. This will be achieved by a synergistic combination of conventional XAS, high energy resolution fluorescence detected X-ray absorption near edge structure (HERFD-XANES) spectroscopy, and X-ray emission spectroscopy (XES) coupled with unsupervised and supervised machine learning methodologies and density functional theory.
Overall, my lecture will feature the importance of operando characterization of electrocatalysts in order to unveil structure/composition-reactivity correlations during CO2RR.