bluuebunny/crossref_metadata_2025_split huggingface dataset:
Adsorption of Halides on Au (111) Electrode in Aprotic Solvents: AC- Voltammetry, EIS, XPS and Surface-Enhanced Infrared Spectroscopy
Authors: Shatla Ahmed Said , Bawol Pawel Peter , Hegemann Martina 
Published: July 2021

Specific adsorption of ions on the electrode surface has a significant impact on the electric double layer (EDL) structure and the kinetics of electrode processes[1]. The ion adsorption at aqueous solution interfaces[2] on various metals has been examined intensively, but much fewer studies from non-aqueous solvents have been conducted[3]. Such studies are important because the metal-solvent [4] and ion-solvent interaction energy [5] depend on the chemical nature of the solvent.
In this study, three organic solvents (propylene carbonate (PC), diglyme (DG), and dimethyl sulfoxide (DMSO)) were investigated for the adsorption of iodide and bromide ions on Au(111) single crystal electrode. This analysis was conducted by using differential capacity measurements, cyclic voltammetry (CV), Electrochemical Impedance Spectroscopy (EIS), X-ray photoelectron spectroscopy (XPS), and Surface-Enhanced Infrared Spectroscopy (SEIRAS).
The magnitude of anion adsorption on Au(111) electrode increases in the series of halides I- ˃ Br- due to better solvation [6] and in the solvent order PC ˃ DG ˃ DMSO[7]. As well, the influence of water content on the adsorption rate of iodide on Au(111) electrode in PC and DMSO was studied. This effect, and the much higher adsorption rate in water is explained by the closer approach of the solvated halogen ion to the surface and the resulting stronger interaction of the transition state with the electrode. Quantification of the adsorbed iodide amount from XPS spectra confirms the coverage estimated from the adsorption charge in CVs. During SEIRAS measurements, a bipolar band is observed at around 1805 cm−1 which correlates to the C-O-vibration of PC as reported on silver electrodes from SERS measurements[8]. A stronger electrical field with decreasing potential is observed in absence of iodine leads to higher absorbance of PC molecules on the surface.

Acknowledgments

Financial support by the German Federal Ministry of Education and Research (BMBF) of the “LuCaMag” project (Fkz: 03EK3051A) under the framework of “Vom Material zur Innovation” program is acknowledged.

References

[1] V.V. Emets, B. B. Damaskin, J. Electroanal. Chem. 712 (2014) 62–73
[2] J. Lipkowski, Z. Shi, A. Chen, B. Pettinger and C. Bilger, Electrochim. Acta 43 (1998) 2875-2888.
[3] A. S. Shatla, A. A. Abd-El-Latif, S. Ayata, D. Demir, H. Baltruschat, Electrochim. Acta 334 (2020) 135556.
[4] V.V. Emets, B. B. Damaskin, J. Electroanal. Chem. 600 (2007) 191-204.
[5] B. G. Cox, G. R. Hedwig, et al. Australian Journal of Chemistry 27(1974) 477-501.
[6] M. D. Levi, A. V. Shlepakov, B. B. Damaskin and I. A. Bagotskaya, J. electroanal. Chem. 138 (1982) 1-27.
[7] A. S. Shatla, P. P. Bawol, H. Baltruschat, ChemElectroChem 7 (
2020) 4782-4793.
[8] Hill, I.; Irish, D.; Atkinson, G. Langmuir 2 (

1986) 752-757.
Nanoindentation and Photoluminescence Studies on Hydrogenated Boron Carbon Nitride Thin Films
Authors: Nehate Shraddha Dhanraj , Sundaram Kalpathy B. 
Published: July 2021

Compounds in boron-carbon-nitrogen ternary triangle such as diamond (C), cubic boron nitride (c-BN), and boron carbide (B4C) have gained attention due to their covalent bonding, short bond lengths, low atomic mass[1]. These materials exhibit low dielectric values along with excellent mechanical and thermal strength. Boron carbon nitride (BCN) compounds are known to combine unique properties of boron carbide and boron nitride, with the properties being tunable with varying elemental composition and structure. These outstanding properties have made BCN attractive and finds multi-functional applications in anti-wear and protective coatings, supercapacitors, UV detectors, nanobiotechnology and nanomedicine[2]. While addition of small amounts of hydrogen has been proven beneficial for electrical and optical properties in BCN films, the influence of hydrogen on mechanical properties have not yet been reported.
In this study, BCN thin films are deposited using RF magnetron sputtering with varying hydrogen/nitrogen gas flows and substrate deposition temperature. Dual target sputtering from B4C and BN targets is performed to deposit BCN thin films. The chemical composition, hardness, Young’s modulus and photoluminescence properties of BCN films are measured as a function of gas flow and substrate temperatures. Hardness of the BCN films range between 6 – 22 GPa and Young’s modulus between 125 – 140 GPa. Photoluminescence (PL) studies are performed at room temperature and 77K. PL peak shifts are observed in BCN films deposited at different substrate temperatures.
References
[1] Zhang H, Yao S, Widom M. Predicted phase diagram of boron-carbon-nitrogen. Physical Review B. 2016;93:144107.
[2] Nehate S, Saikumar A, Prakash A, Sundaram K. A review of boron carbon nitride thin films and progress in nanomaterials. Materials Today Advances. 2020;8:100106.
(General Student Poster Session Winner - 2nd Place) Synthesis and Comparative Electrochemical Study of Mixed Metal Oxides Derived from Hydrotalcites Modified with Copper (II) and Nickel (II)
Authors: Granja Claudia Patricia , Aperador Chaparro William , Gómez Cuaspud Jairo Alberto , Mora Jorge , Morales Jimmy Alexander 
Published: July 2021

At present, the use of heterogeneous catalysts together with environmentally friendly methodologies has been increasing for the synthesis of value-added products.[1] Schiff bases (SB) and their derivatives are very versatile compounds of great importance in the fine chemical industry since they are widely used in various chemistry fields such as, pharmaceutical, clinical, pharmacological, electrochemical, catalytic, photochemical and luminescence. [2-4] On the other hand, the use of mixed metal oxides (MMO) derived from hydrotalcites (LDHs) as catalysts has been increased in organic chemistry. In this work, we synthetized, characterized, and employed MMOs modified with Cu (II) and Ni (II) as catalyst in the synthesis of SB derived from 2-aminothizoles and aromatic aldehydes. The MMOs synthetized were labeled as NixMMO and CuyMMO (x and y, denotes the percentage of substitution of Mg (II) ions by Ni (II) or Cu (II) ions). The electrochemical behavior of these MMOs were determined by cyclic voltammetry and chronoamperometry using a system of three electrodes: Ag/AgCl electrode (reference electrode), Pt wire (counter electrode) and carbon paste electrode (CPE) modified with MMOs (working electrode) in an electrochemical cell. The analysis was carried out employing NaOH (0.1 mol L-1) and NaCl (0.05 mol L-1) as electrolytic. [5] The electrochemical behavior of these MMO were compared with the catalytic results obtained in the synthesis of SB determining the influence of the metal substituted on the catalysts.
[1] Vargas, J. M., Henrique, L., Morelato, T., Ortega, J. O., Boscolo, M., & Metzker, G. (2020). Upgrading 1-butanol to unsaturated, carbonyl and aromatic compounds: a new synthesis approach to produce important organic building blocks. Green Chemistry, 22, 2365-2369
[2] Muhammad, A. R., Necmi, Dege., Onur, E. D., Tuğgan, Ağar., & Sajjad, H. S. (2020). Synthesis of two new Schiff bases; crystal structure, Hirshfeld surface analysis, density functional theory and molecular docking. Molecular Structure, 1226, 129330.
[3]Revenga, M., Robledo, S., Martínez, E., González, M., Colina, A., Herase, A., Parientea, F., & Lorenzo, E. (2020). Direct determination of monosaccharides in honey by coupling a sensitive new Schiff base Ni complex electrochemical sensor and chemometric tools. Sensors and Actuators B: Chemical, 312. 127848.
[4] Maza, S., Kijatkin, C., Bouhidel, Z., Pillet, S., Schaniel, D., Imlau, M., Guillot, B., Cherouana, A., & Bendeif, E. (2020). Synthesis, structural investigation and NLO properties of three. Journal of Molecular Structure, 1219, 128492.
[5] Aguilar, V., Gonzalez, I., & Valente, J. S. (2011). Comparative Electrochemical Study of MgZnGa and ZnGaAl Hydrotalcites. ECS Transactions, 36, 247–256.
A Wearable Electrocardiography Sensor-System with Three-Dimensional Stretchable Interconnects
Authors: Zhang Anan , Tessier Alexandre , Williams Chris Martin , Ameri Shideh Kabiri 
Published: July 2021

The recent COVID-19 pandemic has proven that low-cost wireless wearable medical device which offer reliable continuous health monitoring can be extremely valuable and game changing tools in early diagnosis, control and management of contiguous disease. Current commercial wearables are not reliable and accurate enough for medical diagnosis, further they are rigid, bulky, and expensive.
Here we present a skin-mounted, low-cost, soft and stretchable wearable electrocardiography (ECG) sensor-system which enables continuous and wireless ECG recording. The ECG sensor-system consists of low-cost, disposable, soft and stretchable, carbon-based electrodes patch; and a reusable, front-end and wireless circuits patch. The sensor patches are made by our developed low-cost scalable manufacturing method of spray-printing, on breathable, conformal, stretchable medical adhesives. The softness and thinness of electrodes patch ensure the conformability of electrodes to skin, maximizes the quality of sensing by decreasing the electrode-skin impedance and consequently improving the signal to noise ratio (SNR) and furthermore offer comfort to users. The reusable ECG circuit patch consists of three-dimensional stretchable/deformable interconnects (SDI) integrated with off-the-shelf integrated circuit components. SDI is made of microfluidic channels filled with liquid metal (LM). Unless other reported liquid metal based interconnects, SDI has been designed in 3D form to increase the stretchability and make it robust to deformations in all three x, y and z axis. The sensor-system is also waterproof and the developed disposable sensors are breathable and more comfortable than commercial wet gel electrodes. The recorded ECG signal can be sent to a personal device such as tablet and laptop wirelessly and be displayed in real-time. The developed sensor-system is a platform that can be applied for the construction of various types of sensor-systems with other sensing capabilities.

Figure 1
An Economic Hypochlorous Acid Maker for Covid-19 Control
Authors: LI Liyu 
Published: July 2021

It has been shown that HOCl can inactive numerous viruses, including Corona-19 Viruses in less than one minute. HOCl inactivates viruses, bacteria, endospore and fungi whilst being safe for human tissues with a 99.999% elimination rate. HOCl is listed on the United States Environmental Protection Agency’s List for Disinfectants for Use Against SARS-CoV-2 (Covid-19). It can be used conveniently as hand sanitizer, surface cleanser, food washing solution, fogging solution for school classrooms, buses, shops, restaurants, hotels, offices, theaters, airports, trains, gyms, etc. It is a green, safe, environmentally friendly and fully biodegradable liquid which acts as a very powerful antimicrobial and sterilizing solution.
Most consumers purchase pre-made HOCl products produced in a large manufacture site. The pre-made HOCl hypochlorous acid products in the market are very expansive, mostly due to high cost for packaging, transportation, distribution, storage, and in-stability of the product, which normally has a lifetime of 6 -12 months. The capacity of current on-site HOCl generation products is either too big, or too small, only economical for large quantity consumers or single household uses. Due to the Corvid-19 pandemic, there is a strong need for a safe, on-site, on-demand medium-sized HOCl generation product, which uses only non-hazardous household chemicals and has a production capacity of about 10 gallons per day. Here we report our recent development of a compact and low cost HOCl on-site generator for daily disinfection applications against Corvid-19 virus. Compared to other products on the market, which normally use >2 g/L NaCl solutions, our device uses only 0.4 g/L NaCl solution. This is highly desired for environment fogging disinfection applications. Other advantages of our device include: 1) no noticeable Cl2 gas generation during HOCl production; 2) tap water can be used directly without softening treatment; 3) produce very stable products, with 90% HOCl Stability: > 100 days.

Figure 1
Smartphone-Based Microscopy with Silicone Lens Embedding Nanostructured Photonic Components
Authors: Barillaro Giuseppe 
Published: July 2021

In this work [1], the moldless preparation of a silicone (i.e., poly(dimethylsiloxane), PDMS) lens embedding nanostructured porous silicon (PSi) optical components is discussed, along with its application to smartphone-based microscopy in biology and medicine.
A nanostructured PSi surface is used to redirect a droplet of uncured silicone into a lightweight, high-magnifying lens (10 mg mass and 4.7 mm focal length). Geometrical and optical properties of the lens are easily controllable by tuning of the nanostructure features (i.e., thickness and porosity of PSi). Design of the PSi layer as an optical component (e.g., distributed Bragg reflector, rugate filter, resonant cavity) further enables to embed nanostructured optical elements in the lens, so as to select the light transmitted through the lens itself. The fabrication process of the lens has high reliability (yield >95%), low-cost (0.01 $).
As proof of concept applications, using a single monolithic lens/filter element self-adhered to a commercial smartphone camera we will discuss: fluorescence imaging and counting of live/dead isolated human cancer cells with high magnification and rejection of the excitation light; selection of a narrow wavelength band from the emission spectrum of a fluorescent dye; changing of the color of a white light emitting diode (from red to blue) through shaping of the diode emission spectrum.
[1] Mariani, V. Robbiano, R. Iglio, A. A. La Mattina, P. Nadimi, J. Wang, B. Kim, T. Kumeria, M. J Sailor, G. Barillaro, Moldless Printing of Silicone Lenses with Embedded Nanostructured Optical Filters, Adv. Funct. Mater., 1906836 (2019).
Understanding Li-Ion Cell Thermal Runaway through in Situ Measurement of Temperature Distribution
Authors: Huang Shan , Du Zhijia , Zhou Qian , Snyder Kent , Liu Siyi , Zhang Guangsheng 
Published: July 2021

Thermal runaway is a critical safety challenge for Li-ion cells, characterized by rapid temperature rise and potentially rapid energy release. Numerical modeling studies revealed that temperature distribution in Li-ion cells is highly non-uniform during thermal runaway1
,
2. However, there is a lack of experimentally measured temperature distribution results for model validation or insightful understanding of thermal runaway. Here we report development of a Li-ion cell with multiple embedded thermocouples and in situ measurement of its temperature distributions during thermal runaway.
As schematically shown in Figure 1, seven micro thermocouples are embedded inside a 2.5 Ah Li-ion pouch cell, enabling in situ measurement of temperatures at different locations. Various testing is performed, including nail penetration testing using a 3 mm-diameter stainless steel nail to trigger thermal runaway. Following our earlier practice3, the nail speed utilized is lower than 0.1 mm/s and the voltages between the nail and cell tabs are monitored.
Figure 2 shows the spatial temperature distribution along the centerline during 5C (12.5 A constant current) discharging in comparison with that during thermal runaway as triggered by slow nail penetration. It can be seen that the maximum temperature rise during 5C discharging is about 25 °C and that local temperatures closer to tabs are always slightly higher than those away from tabs. In comparison, maximum temperature rise during thermal runaway is up to 700 °C. More interestingly, the pattern of spatial temperature distribution changes dramatically and is highly non-uniform during thermal runaway. Before 238s, there is little temperature rise and temperature distribution is quite uniform, indicating very slow heat generation near the nail. At 240s, the rise of local temperature closest to the nail is more than 400 °C while the rise of local temperature near the tab is only 20 °C, indicating highly non-uniform temperature distribution and rapid heat generation near the nail. Note that temperature gradient is directionally opposite to that during 5C discharging. Local temperature farther away from tabs but closer to penetration location rises more and faster than that closer to tabs. All of the local temperatures then continue to rise while the temperature gradient becomes smaller, suggesting propagation of thermal runaway from nail penetration location to entire cell. Such detailed spatial-temporal experimental results will help in better understanding of thermal runaway behavior and the development of safer Li-ion cells.

References:

W. Zhao, G. Luo and C.Y. Wang, Journal of The Electrochemical Society, 162, A207 (2015).

W. Zhao, G. Luo and C.Y. Wang, Journal of The Electrochemical Society, 162, A1352 (2015).

S. Huang, X. Du, M. Richter, J. Ford, G. M. Cavalheiro, Z. Du, R. T. White and G. Zhang, Journal of The Electrochemical Society, 167, 090526 (2020).

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Figure 1
Deep Learning Segmentation of Operando X-Ray Microtomography of 18650 Lithium-Ion Batteries for Electric Vehicles
Authors: Allen Eva Michelle , Lim Linda Y , Liu Albert , Toney Michael F , Cabana Jordi , Weker Johanna Nelson 
Published: July 2021

The US Advanced Battery Consortium goals for 2023 call for low cost, fast charge, electric vehicle (EV) batteries with a 15-minute charge time at 80% pack capacity.[1] This milestone would have a huge impact on the universal market adoption of EVs. Unfortunately, fast charging at rates above 1C, defined as the current at which it takes one hour for a battery to charge/discharge to full capacity, imposes extensive deleterious effects on current lithium-ion battery (LiB) chemistries. High charging rates aggressively accelerate degradation mechanisms owed to structural damage due to both increased cycling temperature and inhomogeneous Li ion mass transport properties. The induced electrode damage can cause void formation between the active material and conductive-binder matrix and delamination from the current collecting foil. The now electronically isolated active material results in large costs on the capacity retention of the battery.
In this study, we report measurements via operando X-ray microtomography of cylindrical cells used in EVs under simulated fast charge and drive cycles. Three batteries were measured during cycling after antecedent fast charging cycles, the 3rd, 5th, and 81st - 82nd cycles were analyzed to track morphological damage at different battery life points. To track the spatial and morphological degradation of both the anode and cathode structures, we employed a deep learning segmentation method using the U-Net convolutional neural network (CNN). Using a Euclidean Distance Mapping method, void formation is tracked spatially in 3-dimensions within the electrode coating. Insight into how fast charging induces structural damage will better inform research into fast-charge protocols and new battery chemistries for electrolytes, electrolyte additives, and novel electrode architectures.

[1]Liu, Y.; Zhu, Y.; Cui, Y. Challenges and Opportunities towards Fast-Charging Battery Materials. Nat. Energy
2019, 4 (7), 540–550. https://doi.org/10.1038/s41560-019-0405-3.
Safety Considerations of Lithium Metal Solid State Batteries
Authors: Masias Alvaro , Upadhye Mihir , Sakamoto Jeff 
Published: July 2021

The advancements in Lithium Ion Batteries (LIBs) over the last three decades has significantly altered the modern world. The availability of efficient, portable electrical energy storage has enabled the proliferation of personal electronics, improved the viability of renewal energy sources such as wind and solar, and begun to transform the transportation sector.
Most next generation battery technologies, such as Lithium Metal Solid State Batteries (LMSSB), rely on the adoption of lithium metal for their improved energy storage density. The large-scale adoption of batteries using lithium metal anodes may raise safety concerns, with the properties of lithium making it unstable in the room environment. Proponents of LMSSBs often list improved safety over LIB technology due to the replacement of the flammable liquid electrolyte with an inflammable solid. This view largely ignores the impact on safety of adding lithium metal, which exothermically reacts with water to evolve hydrogen gas. This potential safety consideration as well as others from a fault tree analysis of LMSSB will be introduced and explored.
Batteryarchive.Org – Insights from a Public Repository for Visualization, Analysis, and Comparison of Battery Data across Institutions
Authors: De Angelis Valerio , Preger Yuliya 
Published: July 2021

The availability of raw battery data in a standard format is critical for the evaluation of experimental studies across institutions and for the development of more accurate performance and degradation models. In this presentation, we will describe the design of BatteryArchive.org, a public database with standardized metadata and file formats, and visualization of all uploaded times series and cycle data. We will discuss the open source tools used to develop the database, web application, and data manipulation features. We will present the insights gained from a broad assessment of recently uploaded data from an array of institutions and show how the site can be used in conjunction with other open source tools for battery data processing, such as BEEP and PyBaMM. The site was launched with cycling data for commercial Li-ion cells, but we envision expanding to other kinds of battery data in the future. We welcome critical feedback on the current site and collaboration on the development of new features.
Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. SAND2020-14192 A