bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cathode Functionalization Via Atomic Layer Deposition for Solid Oxide Fuel Cells
Authors: Karimaghaloo Alireza , Johnson Sean , Huang Oscar , Macedo Andrade Angela , Lee Min Hwan 
Published: February 2020

Crucial ­­processes in solid oxide fuel cell (SOFC) such as ionic transport and electrode reactions are thermally-activated processes and their kinetics are strongly dependent on the temperature. Despite intense recent efforts to reduce its operating temperature to address durability, cost and applicability issues, it is still an ongoing challenge to deal with the resulting sluggish kinetics and power losses at lower temperatures. On the other hand, while catalysts with higher surface area are preferred for maximized catalysis per mass and volume, these high-surface area catalysts are prone to agglomeration sacrificing its overall catalytic activity during operation. In this talk, we will present a couple of examples how these issues have been successfully addressed by the use of atomic layer deposition (ALD), which has emerged as an important deposition technique for various applications due to its unique atomic-scale deposition capability in a highly controllable fashion at a temperature significantly lower than conventional chemical vapor deposition techniques. We will present several examples of enhancements in cathode performance and/or durability enabled by an ultrathin coating of Y-doped zirconia or ceria (i.e. YSZ or YDC) on different nano-porous cathode materials including Pt, La(Ni,Fe)O3 and (La,Sr)(Co,Fe)O3. In addition, we will report mechanism studies mainly performed via electrochemical impedance spectroscopy and electron microscopy focusing on the shift of the rate-determining step by the ultrathin overcoat.
Acknowledgement: The authors gratefully acknowledge Nissan Motor Co. Ltd. and NASA MIRO Program (Grant No. NNX15AQ01A) for their financial support.
Chemical Lithiation of Pre-Encapsulated Sulfur Using Lithium Triethylborohydride for Lithium Sulfur Batteries
Authors: Glaser Rebecca , Johnson Billy , Yushin Gleb , Sanghadasa Mohan 
Published: February 2020

As a promising anode material due to its high theoretical capacity (1675 mAh/g) and energy density (2600 Wh/kg), lithium sulfide has been the focus of significant research.1 In addition to being composed of non-toxic, environmentally-friendly elements, lithium-sulfur batteries offer light weight with low cost. Significant drawbacks of lithium sulfur batteries for commercial use are the short cycle life due to the polysulfide shuttle mechanism and the difficult processing required for their air-sensitivity. One approach to mitigating the shuttle mechanism is carbon encapsulation, which both physically constrains the active material and provides electrical conductivity to the insulating sulfur and lithium sulfide. Creating a fully encapsulating conformal coating of Li2S is challenging, but can be circumvented by first infiltrating sulfur into carbon and lithiating to form Li2S inside pre-made carbon particles. Melt-infiltration of sulfur for sulfur-based anodes has been extensively studied; however, anodes containing Li are more advantageous both from a safety perspective and because space is already made for the Li, avoiding troublesome volume expansion issues. While chemically lithiatiated sulfur and its encapsulation have been studied,2 lithiation of pre-encapsulated sulfur is a unique processing method.
In this research, lithium triethylborohydride is investigated as a lithiating agent for sulfur previously melt-infiltrated into a range of nano- and meso-scale carbons. Tuning the reaction temperature, precursor ratio, and amount of solvent gives control over Li2S:C ratio with the aim of keeping the Li2S fully inside the carbon particles. Li2S-C composites have been fabricated and are being evaluated for their electrochemical performance, size and location of Li2S particles, and adequacy to protect against polysulfide dissolution. Optimization of CVD coatings as an additional protection is evaluated. In contrast to traditional methods of encapsulating lithium sulfide, this approach produces higher mass loadings with facile solution processing. In the future, additional lithiating agents, such as N-butyl lithium, and lithium aluminum hydride, will be examined for their efficacy.
(1) Wu, F.; Lee, J. T.; Fan, F.; Nitta, N.; Kim, H.; Zhu, T.; Yushin, G. Adv. Mater.
2015, 27 (37), 5579–5586.
(2) Nan, C.; Lin, Z.; Liao, H.; Song, M. K.; Li, Y.; Cairns, E. J. J. Am. Chem. Soc.
2014, 136 (12), 4659–4663.
A Parametric Study of Sensitivity Analysis of All-Vanadium Redox-Flow Battery Systems
Authors: Al-yasiri Mohammed 
Published: February 2020

Vanadium redox-flow batteries (VRFBs) are mainly used in large –scale grid storage. One of the great features of (VRFBs) is the ability to separate energy (amount of stored electrolyte) and power (number of utilized cells and electrode size) of each other. Thus, the flow battery can be improved for either energy and/or power delivery.
In this work, a 3D numerical model by COMSOL software (validated in previous work) of multidisciplinary problem is implemented to study the overall cell efficiency under different operating flow rate and current conditions. Next, we introduce a comprehensive sensitivity analysis study of many input parameters in our model such as (cell channel dimension and electrode material properties) to investigate the impact of the variation in each parameter on the output cell performance.
Based on the sensitivity results, only three input parameters dominate the simulation results, which are solid conductivity of porous electrode, diffusivity of proton in electrolyte, and reaction rate for both electrodes.

Figure 1
Modeling the Effect of Fast Charge Protocol on the Thermal Behavior of a Lithium-Ion Battery for Electric Vehicle Applications
Authors: Lee Dongcheul , Koo Boram , Shin Chee Burm 
Published: February 2020

The battery is the primary reason that hampers a mass adoption of electric vehicles (EVs). Although lithium ion battery (LIB) is a preferred power source for EV, there is still a plenty of room to be improved for the cost, life and safety of the LIB in EV applications. Another important issue to be overcome for the EV battery is searching for an appropriate fast charge protocol to alleviate “range anxiety” for the driver of passenger EV and thus to enable a rapid growth of EV market. A short charge time is, however, reported to be achieved always at the expense of cycle life regardless of the charge techniques. It is, therefore, essential to find an optimized fast charge protocol that can balance fast charge and healthy cycling for the LIBs.
In this work, the thermal behaviors of LIB cell under various fast charge protocols are analyzed based on the two-dimensional modeling of the nonuniform temperature distribution in LIB cell during fast charge. The thermal modeling during fast charge is validated by the comparison of the modelling results with the experimental measurements using IR thermal images and thermocouples. The fast charge protocols are evaluated based on the peak temperature of LIB cell and the thermal imbalance within LIB cell during fast charge.
The maximum, average, and minimum temperatures obtained from the experimental measurements are compared with those predicted by the model in Fig. 1. The maximum, average, and minimum temperatures obtained from the experiment and modelling are in good agreement with each other at charge rate of 5C during CC-CV charging. Fig. 2 shows the temperature distributions based on the experimental IR image and the modeling for a 14.6 Ah LIB at an environmental temperature of 25℃ at charge time of 180, 480, 1140 s during CC-CV charging with CC charge at 5C. The overall temperature distributions obtained from the experiment agree well with those from the modeling in Fig. 2.

Figure 1
Encoding Polymers with Information. A Supramolecular Porphyrin Approach
Authors: Nolte Roeland , Elemans Johannes 
Published: February 2020

The amount of information trafficking internet nowadays is enormous and will increase further in the near future. It can be expected that in the next decennia the current technologies to store and process data will no longer suffice and that other strategies to handle information will have to be developed. One approach is to explore chemical routes, which nature has also followed during evolution: our brain can store and handle very large amounts of data and process them in a way silicon-based computers cannot do. Although brain-like chemical computers are still far beyond reach, it is of interest to explore how atom and molecule-based systems that can write, read, and store information might be designed and constructed.
In this lecture I will discuss our efforts to develop a new technology to write, store, and read information, i.e. on a single polymer chain with the help of “molecular machines” that are inspired by the hypothetical device (Turing machine) proposed by the British mathematician Alan Turing in 1936 as the general basis for the operation of a computer. We are following two approaches. In the first one we try to construct molecular machines based on clamp-shaped proteins, modified with porphyrin catalysts, that can bind to DNA and move along it while modifying the DNA chain in a controlled fashion. In the second approach we use synthetic machines that are derived from chiral porphyrin cages, which bind to synthetic polymers (e.g. polybutadiene) and glide along it while encoding it with chiral epoxide functions, i.e. (R,R)-epoxide (symbol 0) and (S,S)-epoxide (symbol 1). This encoding process, which is in progress, will be controlled by light.
Photoinduced Energy and Electron Transfer in Bacterichlorins
Authors: Arnaut Luis 
Published: February 2020

Bacteriochlorins are characterized by intense near-infrared absorption bands (700-800 nm), which are of interest for diverse applications such as photodynamic therapy (PDT) of diseased tissues or dyes in solar cells. Although naturally-occurring bacteriochlorin derivatives are labile and this limits their applications, we synthesized photostable bacteriochlorins that can endure many cycles of photoinduced energy and electron transfer reactions without photodecomposition. The factors contributing to this photostability are discussed. In particular, it is shown that bacteriochlorins are prone to oxidation but this can be prevented by introducing electron-withdrawing substituents in the phenyl groups of tetraphenylbacteriochlorins. The oxidation potentials of tetraphenylbacteriochlorins increase when such substituents are present, and it is shown that in a series of structurally-related bacteriochlorins, chlorins and porphyrins, the photodecompositing quantum yields decrease as the oxidation potentials increase. The control of the oxidation potential is also relevant to determine the propensity of these photosensitizers to undergo energy or electron transfer to molecular oxygen.
Efficient energy transfer (Type II process) and electron transfer (Type I process) to molecular oxygen, with the consequent formation of reactive oxygen species, is critical to the success of PDT of solid tumors. We tuned the properties of tetraphenylbacteriochlorins to optimize a photosensitizer for PDT of cancer. The optimized photosensitizer, named redaporfin, proved very effective in the treatment of tumors implanted in animal models and is now in clinical trials for advanced head and neck cancer
References

Pucelik, R. Paczyński, G. Dubin, M. M. Pereira, L. G. Arnaut, J. M. Dąbrowski, Plos ONE, 12 (2017) e0185984

Pucelik, L. G. Arnaut, G. Stochel, J. M. Dąbrowski, ACS Appl. Mater. Interfaces, 8 (2016) 22039-22055

Tão, J. R. S. Campos, L. C. Gomes-da-Silva, F. A. Schaberle, J. M. Dabrowski, L. G. Arnaut, ChemBioChem, 17 (2016) 836-842.

M. Dabrowski, L. G. Arnaut, Photochem. Photobiol. Sc., 14 (2015) 1765-1780.

B. Rocha, L. C. Gomes-da-Silva, J. M. Dabrowski, L. G. Arnaut, Eur. J. Cancer, 51 (2015) 1822-1830.

Saavedra, L. B. Rocha, J. M. Dąbrowski, L. G. Arnaut, ChemMedChem, 9 (2014) 390-398.

G. Arnaut, M. M. Pereira, J. M. Dabrowski,* E. F. F. Silva, F. A. Schaberle, A. R. Abreu, L. B. Rocha, M. M. Barsan, K. Urbanska, G. Stochel, C. M. A. Brett, Chem. Eur. J., 20 (2014) 5346-5357.
The Design of Highly Efficient Non-Precious Metal Catalysts for Oxygen Reduction, Oxygen Evolution and CO2 fixation/Reduction
Authors: Schoefberger Wolfgang 
Published: February 2020

Selective catalysts are urgently needed for the oxygen evolution reaction (OER), the oxygen reduction reaction (ORR) and CO2 fixation/reduction reactions (CO2RR) in order to replace fossil fuels with renewable fuels. To date, noble metals and precious metal catalysts have achieved the best performance in energy yield and Faradaic efficiency, and have recently reached impressive electrical-to-chemical power conversion efficiencies. However, the scarcity of precious metals makes the search for scalable, non-precious or even metal-free catalysts for the above mentioned reactions all the more important. During the lecture, I will discuss our synthesis efforts to develop functional materials based on metal corrole systems or polymeric materials and subsequently show their application as catalysts for OER/ORRs [1] and CO2RR [2-4].
[1] Schöfberger et al., Angew. Chem. Int. Ed. 2016, 55, 7, 2350–2355 and Angew. Chem. 2016, 128 (7), 2396–2401. [2] Tiffner et al., Chem. Asian J., 2017, 12 (10), 1048–1051. [3] Coskun et al., Sci. Adv. 2017; 3:e1700686. [4] Tebi et al., ACS Nano, 2017, 11 (3), 3383–3391.

Figure 1
Novel Corroles for Chemical Sensor Applications
Authors: Paolesse Roberto , Nardis Sara , Mandoj Federica , Stefanelli Manuela , Di Natale Corrado 
Published: February 2020

In the last few years corrole has been one of the protagonist of the porphyrinoid scenario, due to the impressive number of researches devoted to investigate the chemistry of such a macrocycle.
The refinement of simple synthetic routes for the preparation of meso-substituted corroles made this macrocycle easily available to researchers, before hampered by the multi-step preparation necessary to obtain this contracted porphyrin.
Although this synthetic availability contributed to the corrole popularity, it is for sure the peculiarity of the chemistry of such a macrocycle that justified the impressive increase in researches related to corroles. This peculiarity is characterized by the non-innocent character as ligand, which from one side makes its behavior particularly intriguing and challenging for the electronic structure characterization, and from the other side makes its metal derivatives interesting for catalytic applications. To further enrich this scenario, it is important to study different synthetic routes devoted to the modification of the corrole ring, by the introduction of peripheral substituents. In this way it is possible to modulate the characteristics of the corrole ligand and consequently its metal derivatives.
In the present work we summarize our recent achievements in the preparation of novel corrole derivatives for chemical sensors development.
Assessing the Importance of Crease Parameters and Infiltration in Creating Miura-Ori Tungsten Carbide Parts
Authors: Patterson Jenna , Sterckx Peter , Islam Monsur , Martinez-Duarte Rodrigo 
Published: February 2020

The combination of the structure of origami folding geometries and the strength of carbides has the potential to create strong yet flexible low density parts. For the structure aspect, the Miura-ori origami geometry is able to fold compactly or unfold into a panel, allowing it to deform as loads are applied. Tungsten carbide is chosen as the potential carbide due to its extreme hardness and relatively high Young’s modulus of 530-700 GPa. Previous work by our group showed how the heat treatment of a Miura-ori geometry, made with cellulosic paper infiltrated with a tungsten precursor, yielded a rigid Miura-ori tungsten carbide structure. Here, we focus on studying the effect of crease geometries and materials as it relates to the specific strength of the Miura-ori carbide structure.
The crease geometry is a function of the cutter plotter’s inputs, specifically including creasing force, crease width, and the number of passes over each crease. These variables are varied using the Taguchi design of experiment in order to determine the optimal crease geometry that will yield the highest Young’s modulus. The main challenge has been to crease the paper without it ripping, as this sometimes occurs when the force is high and the line thickness is small. After creasing, the structures are folded and then carbonized (Fig. 1). The carbonized Miura-ori structure is then load tested to determine the Young’s modulus and, knowing the dimensions of the part, the specific strength.
To determine how the tungsten carbide affects the strength of the material, an inkjet printer deposits an ammonium metatungstate [AMT] solution onto the paper after it is creased. When the structure is carbonized, the AMT decomposes and forms tungsten carbide in the presence of the carbon in the paper. This process yields a Miura-ori structure that is at least partially tungsten carbide. Different concentrations of AMT solution should yield greater percent tungsten carbide in the carbonized part, which is something that will be explored in the future.
Ongoing work is on characterizing the effect of processing on the mechanical properties of the carbon structures. To this end, the carbonized parts are load tested to determine their Young’s modulus and the specific strength. These explorations into the part’s physical geometry and composition will allow for optimization of the structure’s strength through physical and chemical optimization.
References
Schenk, M., & Guest, S. (2013). Geometry of Miura-folded metamaterials. Proceedings of the National Academy of Sciences of the United States of America,
110(9), 3276-3281.

Figure 1
Depassivation of Steel Rebar in Concrete Investigated By Electrochemical Impedance
Authors: Itagaki Masayuki , Okamoto Tatsuki , Watanabe Shuhei , Tokieda Hiroyuki , Hoshi Yoshinao , Shitanda Isao , Kato Yoshitaka 
Published: February 2020

The degradation of concrete and the corrosion of steel-reinforcing bar are serious problem in infrastructures. The electrochemical measurements are useful to evaluate the stability of passive film formed on steel rebar in concrete, which are mainly measurements of corrosion potential [1] and polarization curve. Dawson et al. [2] applied an electrochemical impedance spectroscopy (EIS) to the investigation of rebar corrosion in concrete because the charge transfer resistance at rebar/concrete interface can be determined from the impedance spectrum. Recently, the authors developed an electrode in Fig. 1 as a sensor probe to monitor concrete degradation and rebar corrosion. A couple of electrodes, which were made of same material as steel rebar, can be embedded in concrete structure and complex impedance can be measured continuously on the basis of two-electrode method.
The authors’ group has performed the following three types of impedance measurements in order to prove the of the developed sensor probe.
(1) Impedance between two electrodes in aqueous solution that simulates the water quality of transition zone (laboratory test).
(2) Impedance between two electrodes embedded in the concrete which was fabricated in the laboratory.
(3) Field test at bridge pier of the highway in coastal marine environment.
It is well known that the rebar corrosion in concrete is strongly influenced by the conditions of cover concrete. Thin water layer is formed at rebar/concrete interface due to water absorption in the concrete. The concrete is good health status and the passive film is formed on steel rebar when the pH of water layer on steel rebar is sufficiently high. The breakdown of passive film occurs by neutralization and enriched chloride ions in the water layer with the degradation of concrete. In this presentation, the authors investigate the critical values of pH and chloride concentration to maintain the passive film on steel rebar and discuss the depassivation mechanisms by the measurements of electrochemical impedance with the developed sensor probe.
References:
[1] ASTM C 876-91 (Reapproved 1999): Standard Test Method for Half-Cell Potentials of Uncoated Reinforcing Steel in Concrete, Annual Book of ASTM standards, Vol. 03.02, pp. 457-462, 1999.
[2] J. L. Dawson, L. M. Callow, K. Hladky and J. A. Richardson, Corrosion/78, No-125 (1978).

Figure 1
A pH Sensing Channel Flow Double Electrode to Investigate Anodic Dissolution of Mg and Mg Alloys with Real-Time Surface Observation
Authors: Hoshi Yoshinao , Miyazawa Kei , Shitanda Isao , Itagaki Masayuki 
Published: February 2020

Magnesium (Mg) is an attractive material for a transportation industry because it has low density and good mechanical properties. However, a high reactivity of Mg in an aqueous solution limits its wider usage in the industry. It was reported that the rate of hydrogen evolution reaction on Mg is increased with noble potential from the open circuit potential. This phenomenon is termed the Negative Difference Effect (NDE) 1-5.
In order to investigate the anodic dissolution of Mg, we developed a pH sensing channel flow double electrode (CFDE). The CFDE is one of the hydrodynamic method for analysis of anodic dissolution of metals and alloys 6-10. In this method, the metallic ions dissolved from the working electrode (WE) can be detected by arranging a detecting electrode (DE) downstream of the WE. In the present study, the Mg and tungsten (W) were used as the WE and DE. Because the hydroxide ions generated due to the anodic dissolution of Mg flow to the W, pH can be estimated from the measurement of the open circuit potential of W. In addition, a video recording of Mg surface was performed during measurement in the developed system 10. The hydrogen evolution of Mg during anodic dissolution was discussed with results of pH changes and an in-situ surface observation.
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Y. Hoshi, T. Oda, I. Shitanda and M. Itagaki, J. Electrochem. Soc., 164, C450 (2017).