bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Scalable Method for Improving Zn Crystallinity for Low-Gassing Alkaline Batteries
Authors: Lenhart Brian , Lateef Saheed Adewale , Zuraw Michael , Mustain William Earl 
Published: November 2022

The corrosion of zinc particles in alkaline environments is an energetically parasitic process that produces hydrogen gas as a byproduct. This “gassing” phenomenon is thermodynamically favorable in standard zinc-alkaline battery chemistries. Building hydrogen pressure within these primary cells can eventually lead to cell rupture, leaking the high-pH electrolyte and slurry from the cell, often destroying the electronic device that the cell was meant to power. One of the particle-level variables that can control the gassing and corrosion rate is the particle crystallinity. As the crystallinity of the zinc particles is enhanced (larger grains and fewer grains per particle), a reduction in the rate of this undesirable gassing phenomenon is expected.
In this study, we demonstrate a systematic method for enhancing zinc particle crystallinity by thermally growing zinc grains. Since thermally growing zinc grains requires temperature exposure above the melting point of metallic zinc, an oxide layer is first grown around the outside of the particle surface. Oxides tend to have significantly higher melting temperatures than their metallic counterparts and this is true in the zinc/zinc oxide case where the melting temperature of metallic zinc is 420 oC and the melting temperature of zinc oxide is 1975 oC. Forming a thin oxide layer around the particle allows the metallic zinc core to be recrystallized whilst simultaneously retaining the particle shape. Following the grain growth step, the oxide layer is easily washed away with a quick acetic acid treatment. Outlined in this work is a detailed study on the scalable three-step process for growing zinc grains and enhancing bulk zinc powder crystallinity by the following: 1) oxide layer formation, 2) grain growth, and 3) oxide layer removal. Following the treatment, both achievable capacity and the corrosion rate were tested. It will be shown that the higher crystallinity particles have superior performance and lower gassing than traditional Zn powders without the treatment.
Design of Anti-Fouling Membrane Coatings for Desalination
Authors: Truong Brandon , Freire-Gormaly Marina 
Published: November 2022

Desalination of brackish water and sea water has become increasingly implemented worldwide to combat drinking water shortages. This is especially true in remote regions where access to both fresh water and the nation’s electricity grid are missing. Renewable energy-powered reverse osmosis desalination plants seek to deliver potable water by utilizing standalone energy sources such as solar or wind, to power intermittently operated water filtration. The intermittent nature of operation, however, introduces enhanced fouling of the membrane surface due to a favorable environment for foulants to collect and grow. Thus, membrane coatings have been developed to reduce fouling occurrence.
Described herein are the efforts to construct a reverse osmosis system to mimic remote plants, as well as the investigation of anti-fouling membranes under intermittent operations. A lab-scale reverse osmosis (RO) system is developed to allow testing and monitoring of water treatment processes. Multiple sensors used to measure water quality and permeate flow were incorporated inline to gather data in real time. Cross-flow RO cells utilizing flat sheet membranes enable simple sample preparation and analysis. Membrane coating technology used to improve treatment performance through enhanced antifouling properties was studied. Several coating possibilities were considered for criteria such as: cost, antifouling & anti-scaling properties, and water output quality. Polydopamine is a previously studied membrane coating, although thus far research has only extended to salt rejection of NaCl. There is a lack of research surrounding various membrane coatings when subject to real water sources, which contain a variety of salts and organic material. Additionally, intermittent operation has not been investigated. In this research, the coatings are tested under these conditions to determine their efficacy in reducing and delaying onset of membrane fouling.
Crmnv and Crmntiv Heas Elastic Properties for Use in Beam Exit Windows for MW Irradiation Facilities
Authors: Mohammed Yousuf , Curtis Nathan , Moorehead Michael , Hash Jon-Luke , Couet Adrien , Vennekate John , Ciovati Gianluigi , Baumgart Helmut , Elmustafa Abdelmageed 
Published: November 2022

The choice of a material and the engineering design that is intended to lead to a beam exit window capable of sustaining mechanical and thermal loads in a high-radiation environment, while minimizing the beam loss and maximizing the window lifetime is discussed. Thin titanium windows have been typically used in industrial accelerators in the tens of kW beam power [1].
The focus of this research is to conduct fundamental studies related to the choice of a material, from a material science point of view, for MW-class beam exit windows and an engineering design, including parameters such as the window size, thickness, and cooling scheme, suitable for industrial accelerators. CrMnV and CrMnTiV HEAs were selected for this study. According to Yang et al., [2], 1.1 and 6.6% should be expected as the criteria for forming high entropy stabilized solid solution phases. The two parameters of the CrMnV and CrMnTiV alloys are and respectively. Therefore, the two alloys are expected to be solid solution.
The mechanical properties of CrMnV and CrMnTiV solid solution HEAs exit window prior to E-beam irradiation were measured using nanoindentation. The nanoindentation testing was carried out using XP Nanoindenter tester equipped with a three-sided diamond Berkovich indenter tip with maximum displacement of 2000 nm. The hardness is measured as 5.2 and 6.1 GPa for the bulk CrMnV and CrMnTiV solid solution HEAs at a depth of indentation of 900 nm respectively, Fig. 1. We also observe that both solid solution CrMnV and CrMnTiV HEAs depict indentation size effect.

References

Chmielewski A.G., Zimek, Z., Panta P., Drabik W., Radiat. Phys. Chem. 45 1029 (1995).

Yang, X. and Y. Zhang, Prediction of high-entropy stabilized solid-solution in multi-component alloys. Materials Chemistry and Physics, 2012. 132(2-3): p. 233-238.

Figure 1
Microstructure and Mechanical Properties of Rexnbmotaw Thin Films Prepared By RF Magnetron Sputtering
Authors: Al Keyyam Ibrahim , Mohamed Yousuf S , Baumgart Helmut , Ghariban Nasser , Elmustafa Abdelmageed 
Published: November 2022

High Entropy Alloys (HEAs) and Refractory High-Entropy Alloys (RHEAs) are novel potential materials for high-temperature applications [1]. NbMoTaW, a RHEAs, such as the one in Fig. 1, possess superior mechanical properties, combining high strength, outstanding thermal stability, and resistance to softening at high temperatures [2]. The influence of adding Vanadium [3], Tantalum [4], and Rhenium [5] to NbMoTaW alloys on the bulk mechanical behavior was investigated by the previous studies. In this research, the effect of adding Rhenium with different (Re0, Re0.5, Re1) on the microstructure and the mechanical properties of NbMoTaW thin films will be nvestigated. The larger the enthalpy of mixing in negative values, the higher the binding force between the elements, which has been enhanced with Rhenium addition. As for the entropy of mixing, it increased from 11.53 to 13.38 for Re0 and Re1, respectively. The higher the mixture entropy suggests a more stable solid solution. This is confirmed by calculating the thermodynamic parameters proposed by Yang et. Al [6] where they suggested that a mixture with δ < 6.6 and Ω > 1.1 correspond to solid solution formation. The anticipated crystal structure for the three samples is BCC structure according to the valence electron concentration (VEC) theory, where the VEC values were less than 6.87 as suggested by Gou et. Al [7]. The RexNbMoTaW HEAs thin films are fabricated using RF magnetron sputtering. The film thickness, deposition power, and temperature impact on the films’ characteristics are studied. Field emission (FE-SEM), X-ray diffraction (XRD), and nanoindentation are used to investigate the RexNbMoTaW thin films’ crystal structure, surface morphology, and mechanical properties. The mechanical properties of the thin films will be compared with their counterpart bulk materials.
References

Kim, H., et al., International Journal of Refractory Metals and Hard Materials, 2019. 80: p. 286-291.

Feng, X., et al., Materials Letters, 2018. 210: p. 84-87.

Senkov, O.N., et al., Intermetallics, 2011. 19(5): p. 698-706.

Han, Z.D., et al., Materials Science and Engineering: A, 2018. 712: p. 380-385.

Zhang, J., et al., Journal of Alloys and Compounds, 2020. 827.

Yang, X. and Y. Zhang, Materials Chemistry and Physics, 2012. 132(2-3): p. 233-238.

Guo, S., et al., Journal of Applied Physics, 2011. 109(10): p. 103505.

Figure 1
The Development of Paper-Based Electrodes to Detect Glucose
Authors: Begay Makeiyla , Wilson Katelyn , Charley Jasmine , Platero Justin , Nelwood Michael , Francis Samantha , Mhatre Apurv , Varman Arul Mozhy , Soundappan Thiagarajan 
Published: November 2022

A high costing screen-printed electrode, the electrochemical software required, and a electrochemistry laboratory are all needed to conduct a electrochemical test. The need for this type of technology on the Navajo Nation is important because it would allow them to have real-time, on-site detection that is cost effective. This would allow the Navajo Nation to detect and analyze compounds that may cause severe health issues.
The materials that are required to fabricate these paper-based electrodes are chromatography paper, a wax printer, electrochemically active and conductive ink, electrochemistry equipment, buffer solution, and the compound that is being tested.
First we would get chromatography paper and print the electrode outline, designed at Navajo Technical University, using the wax printer. The next step is to coat the electrodes with the conductive ink and add gold or copper nano-particles, which will act as our catalyst. Then we get our compound, which is Glucose in this case, and test multiple different concentrations. With the electrochemical software we are able to use different types of techniques like Differential pulse voltammetry (DPV) and Cyclic voltammetry (CV) to test Glucose.
We hope to continue testing with these electrodes to improve our techniques and ensure that we are able to test paper-based electrodes on multiple different compounds. Another goal of our project is to develop a way to conduct these tests while in the field.
Pentlandite Catalysts for the Electrochemical Hydrogenation of Alkynols in a Zero-Gap Electrolyzer
Authors: Pellumbi Kevinjeorjios , Wickert Leon , Kleinhaus Julian Tobias , Wolf Jonas , junge Puring Kai , Siegmund Daniel , Apfel Ulf-Peter 
Published: November 2022

Electrosynthetic methods are considered to be crucial in the sustainable transformation of the chemical industry. Being an integral part of many synthetic pathways, the electrification of hydrogenation reactions gained increasing interest in recent years. However, for the large-scale industrial application of electrochemical hydrogenations, low-resistance zero-gap electrolyzers operating at high current densities and high substrate concentrations, ideally applying noble-metal-free catalyst systems, are required. In this work, we demonstrate the successful development of an electrochemical hydrogenation process towards application at the example of the semi-hydrogenation of alkynols.
Because of their conductivity, stability, and stoichiometric flexibility, transition metal sulfides were thoroughly investigated as promising electrocatalysts for electrochemical hydrogen evolution but remain scarcely investigated for electrochemical hydrogenations. An initial screening of a series of first-row transition metal sulfides of the pentlandite class revealed promising activity for the electrochemical hydrogenation of alkynols in water and methanol. Based on these findings, selected catalysts were incorporated into a zero-gap electrolyzer, thereby enabling the hydrogenation of alkynols at current densities of up to 1 A cm-2, Faraday efficiencies of up to 75 %, and an alkene selectivity of 90 %. In this scalable setup we demonstrate high stability of the catalyst and the electrode for at least 100 h. Altogether, we illustrate the successful integration of a sustainable catalyst into a scalable zero-gap electrolyzer establishing electrosynthetic methods in an application-oriented manner.

Figure 1
Electrochemical Characterization in Neutral Electrolyte of Mixed Metal Oxide
Authors: Collazos Reina Jhon Jairo , Morales Jimmy , Hernández Julián H , Gómez Lara Kevin Steven , Avendaño Alvaro J , Dector Andrés 
Published: November 2022

The mixed metal oxides, have been used in different environmental and chemical applications in view of their physical and chemical properties. In the field of electrochemistry, particularly electroanalysis, they are extensively used as functional materials due to their high surface area, mass transport, catalytic effect, and control over the local environment. [1] Mixed metal oxides providing a material with different physicochemical and morphological properties, such as, greater surface area, high dispersion, thermal stability, acid/base properties, making its application in various fields of chemistry, mainly as catalysts in various organic reactions. [2]
In this work, mixed metal oxides of CuO-Fe2O3 and CoFe2O4 ferrite were synthesized by sol–gel combustion route using glycerin as an adjuvant. [3-4] The mixed metal oxides CuO-Fe2O3 and CoFe2O4 ferrites structure was confirmed by means of X-ray powder diffraction. Scanning electron microscopy were used to investigate the morphology of the sample and the vibrations of the functional groups were determined by Raman and IR-ATR spectroscopy. [3-4]
The electrochemical behavior of mixed metal oxides CuO-Fe2O3 and CoFe2O4 ferrite were determined by cyclic voltammetry using an Ag/AgCl electrode, platinum wire and a glass carbon electrode (GCE), as reference electrode, counter electrode and working electrode, respectively. It was used a solution of KNO3 (0,1 mol L-1) as electrolytic medium. The GCE was modified with mixed metal oxides obtained to analyze their electrochemical behavior.
Bibliographic

Kefeni, K.K.; Msagati, T.A.; Mamba, B.B. 2017, Sci. Eng. B. 215, 37–55

Veisi, S.S.; Yousefi, M.; Amini, M.M.; Shakeri, A.R.; Bagherzadeh, M. 2019, Alloy. Compd. 773, 1187–1194

Basante-Delgado, S.F.; González-Vidal, D.; Morales-Morales, J.A.; Aperador-Chaparro, W.A.; Gómez-Cuaspud, J.A. 2020 Phys. Conf. Ser. 1541, 012013

Granja-Banguera CP, Silgado-Cortázar DG, Morales-Morales JA. 2022, Molecules. 2022, 27, 1550.
(Digital Presentation) Electrochemical and DFT Studies for Fentanyl and Fentanyl Analogs
Authors: Wang Ling , Alves Gustavo Murilo , Dogruer Erkok Sevde , McCord Bruce 
Published: November 2022

The abuse of opioids has been a critical issue to the public health for years. With the appearance of new fentanyl analogs, the overdose rates of opioids continue to bloom. Current screening methods, such as immunoassay, have difficulty detecting the full range of opioid analogues due to a wide variety of structural variations. We have been working on alternative screening methods, Electrochemical approaches, including square wave voltammetry and cyclic voltammetry, quickly distinguish the group of fentanyl analogs from other opioids with lower cost and easier operations. Both screening approaches are convenient for point-of-care analysis and laboratory tests.
The electrochemical approaches utilize the SPE electrodes and PBS buffer. When the solid drugs were dissolved in the buffer solutions, then dropped on electrodes and analyzed via CHI instrument with an energy range of 0.5 – 1.8 eV. The SWV spectra identify fentanyl analogs from mixtures with the optimized condition for individual drugs, such as fentanyl, cocaine, heroin, opioids, amphetamines, and adulterants. Electrochemical approaches are less sensitive than instrumental methods, however, its operations and preparations are easier for un-trained staff. To understand the cross reaction of fentanyl analogs and impurities, as well as the metabolites, DFT calculations displayed the energy changes and pathways from parent drugs to metabolites.
The electrochemical method permits a rapid, easily operated presumptive test for opioids in different benefits. When the method coupled with other screening methods, such as surface enhanced Raman spectroscopy our lab have done, the method can be orthogonal to mass spectrometry and sufficiently sensitive to detect compounds at toxicological levels. As a result it should be particularly useful for the screening of opioids and other novel psychoactive substances.
(Digital Presentation) Phosphonium Salts As Potential Guest Substances for Ionic Semiclathrate Hydrates
Authors: Azuma Sakura , Tsunashima Katsuhiko , Shimada Jin , Sugahara Takeshi , Tani Atsushi 
Published: November 2022

Semiclathrate hydrates (SCHs) are ionic crystalline compounds consisting of an organic guest cation in several cages formed by hydrogen bonding of water1. SCHs have recently been considered for application to air conditioning systems and refrigeration systems since desirable equilibrium temperatures and the considerable decomposition enthalpies are observed in the solid-liquid equillibria2. Ionic guest substances of SCHs include quaternary onium compounds such as tetrabutylammonium2 and tetrabutylphosphonium based salts3. We report here the preparation and thermodynamic properties of SCHs based on quaternary phosphonium bromides containing an unsaturated carbon-carbon double bond, as shown in Fig. 1, in comparison with the conventional saturated phosphonium salt, such as tetrabutylphosphonium bromide (P4444-Br).
The unsaturated phosphonium bromides (P444(1All)-Br and P444(2All)-Br) were synthesized by quaternarization reaction of tributylphosphine with alkenyl bromides in a nitrogen atmosphere. The aqueous solutions were prepared from 5 to 50 w/w %. After thorough stirring, the aqueous solutions were cooled in a freezer to form SCHs. The SCHs were immersed into a thermostatic bath at 268 K for at least 1 day. The temperature in the thermostatic bath was raised from 268 K at a rate of 0.1 K/step (1 step: more than 5 h). The equilibrium temperatures were defined as the temperature at which SCHs were completely dissolved. The ionic crystal structure was analyzed by a powder X-ray diffraction (PXRD) technique, the dissociation enthalpy was measured by a micro differential scanning calorimeter (μDSC).
Fig. 2 depicts the solid-liquid phase equilibrium diagram representing the phase equilibrium temperatures of SCHs. The equilibrium temperature of P444(1All)-Br SCH was higher than P4444-Br SCH. These results might be due to the steric effect of alkenyl group. As shown in Fig. 3, the ionic crystal structure of both P444(1All)-Br and P444(All)-Br SCHs were orthorhombic. The dissociation enthalpy of P444(1All)-Br SCHs and P444(2All)-Br SCHs were 188 J/g and 199 J/g, respectively. The unsaturated phosphonium bromides would be regarded as potential guest substances used for latent heat storage materials in air conditioning systems.
References

M. Oshima, et al, J. Chem. Thermodynamics, 90, 277 (2015).

H. Oyama, et al, Fluid Phase Equilibria, 234, 131 (2005).

J. Shimada, et al, Chem. Eng. Sci., 236, 116514 (2021).

Figure 1
Effect of Calendering on Local Ionic and Electronic Transport of Porus Electrodes
Authors: Liu Baichuan , James Nicole , Wheeler Dean , Mazzeo Brian A. 
Published: November 2022

The microstructure determines transport properties in lithium-ion battery electrodes. There is generally a tradeoff between electronic and ionic transport when adjusting the microstructure. One way of adjusting the microstructure is through calendering, where the electrode is compressed following drying. Understanding how calendering affects not only the average but also the local electronic and ionic transport provides additional insight when developing battery electrodes and engineering better batteries. If a correlation exists between the two properties, an optimal porosity that maximizes both ionic and electronic transport could be determined.
In order to better understand the influence of microstructure on these transport properties, we tested a series of commercial-grade electrodes including NMC cathodes, graphite anodes, and a graphite-silicon anode. The local electronic conductivity of the electrodes was found using a micro-flexible-surface probe previously developed by our research group [1]. Likewise, the local ionic conductivity was found using an aperture probe previously developed by our research group [2]. All electrodes were obtained from Argonne National Laboratory in calendered and un-calendered states.
Through testing various electrodes before and after calendering, we found that not every electrode experienced an increase in electronic conductivity after calendering, and that in general heterogeneity of the electronic conductivity decreased after calendering. The local ionic resistance, as indicated by MacMullin number, was found to increase after calendering, as expected. Figure 1 illustrates the local ionic and electronic transport results for one cathode. Ionic transport was found to be almost solely influenced by porosity. However, electronic transport was found to be influenced by a variety of factors including the nature, distribution, and connectivity of conductive materials.
[1] Vogel et al., J. Electrochem. Soc. 168, 100504 (2021).
[2] Liu et al., ECS Meeting Abstracts 2021, 444.

Figure 1
A Co-Axial Microtubular Flow Battery Cell with Ultra-High Volumetric Power Density
Authors: Liu Nian 
Published: November 2022

Flow batteries are a promising energy storage solution. However, the footprint and capital cost need to be further reduced for flow batteries to be commercially viable. The flow cell, where electron exchange takes place, is a central component in flow batteries. Improving the volumetric power density of the flow cell (W/Lcell) can reduce the size and cost of flow batteries. While significant progress has been made on flow battery redox, electrode and membrane materials to improve energy density and durability, conventional flow batteries based on planar cell configuration exhibit a large cell size with multiple bulky accessories such as flow distributors, resulting in low volumetric power density. In this talk, I will introduce a new co-axial microtubular (CAMT) flow battery cell configuration that significantly improves volumetric power density by reducing the membrane-to-membrane distance by almost 100 times and eliminating completely the bulky flow distributors. Using zinc-iodide chemistry as a demonstration, our CAMT cell shows peak charge and discharge power densities of 1322 W/Lcell and 306.1 W/Lcell compared to average charge and discharge power densities of < 60 W/Lcell and 45 W/Lcell of conventional planar flow battery cells. The battery cycled for more than 220 hours, corresponding to > 2,500 cycles at off-peak conditions. Furthermore, the CAMT cell has been demonstrated to be compatible with zinc-bromide, quinone-bromide, and all-vanadium chemistries. The CAMT flow cell represents a device-level revolution to enhance the volumetric power of flow batteries and potentially reduce the size and cost of the cells and the entire flow battery.
Publication:
https://chemrxiv.org/engage/chemrxiv/article-details/62070e98bd05a04ae103fa7e

Figure 1