bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Predicted Crystal Structure of Metastrengite I FePO4∙2H2o and Its Importance in Li-Ion Battery Systems
Authors: Kim Soo , Ward Logan , Michel Kyle , Wolverton Chris , Shin Eun Jung , Kim Hyung-Sun , Cho Byung-Won 
Published: February 2020

The demands for large-scale energy storage devices have increased significantly for the past decade [1]. Olivine structured lithium iron phosphate, LiFePO4, has been recognized as a promising cathode material for lithium ion batteries because of its advantages of high power capability, low cost, non-toxicity, excellent thermal safety, and high reversibility [2]. In addition to LiFePO4, various amorphous and crystalline phases of iron phosphates, FePO4 and FePO4·nH2O have been proposed as the cathode materials in lithium ion batteries [3].
Among various phases of iron phosphates, the exact crystal structure of crystalline FePO4·2H2O (metastrengite I) is still unknown as first mentioned by Rémy et al. [4]. It was determined that an orthorhombic olivine-type LiFePO4 (Pnma) and metastrengite I FePO4·2H2O (Pbnm) belong to the same space group #62. Here, we use the recently developed genetic-algorithm-based FPASS method [5] to determine the crystal structure of crystalline FePO4·2H2O (metastrengite I) and discuss the possible applications of the crystalline FePO4·2H2O (metastrengite I) for the LIBs system.

References

[1] J. M Tarascon and M. Armand, Nature, 414, 359 (2001).
[2] A. K. Padhi, K. S. Nanjundaswamy, and J. B Goodenough, J. Electrochem Soc., 144, 1188 (1997).
[3] C. Delacourt, P. Poizot, D. Bonnin, and C. Masquelier, J. Electrochem. Soc.,
156, A595 (2009).
[4] P. Rémy, Ph.D. Thesis, University of Paris, France (1971).
[5] B. Meredig and C. Wolverton, Nature Mater., 12, 123 (2013).
Harvesting High Loading Electrode with Nanosized Particles for Rechargeable Lithium Batteries
Authors: Lv Dongping , Lozano Terence , Shao Yuyan , Bennett Wendy D , Zhang Ji-Guang , Liu Jun , Xiao Jie 
Published: February 2020

Contributed by significantly improved solid/liquid interface and kinetics of Li+ diffusion, nanostructured electrode materials offer wide and promising applications in Li-ion and rechargeable lithium batteries, especially for the high power demand.[1] For example, by embedding electronic insulating sulfur into the nanostructured carbon frameworks, the obtained sulfur/carbon composites deliver high capacity and greatly improved cycling stability as cathode.[2, 3] Similarly, silicon exhibits outstanding properties as promising anode for Li-ion batteries after reduced to nanosize or combined with carbon by forming Si/C composites.[4] Despite these superiorities of nanosized novel structures, materials in nano-scale still face the challenge with respect to the practical applications in batteries. Besides side reactions initiating on the high surface electrode, it is difficult to achieve high loading electrode with nanosized active materials through slurry coating technique due to the generation of sever cracking or pinholes during the drying process. One of the reasons behind this phenomenon is the large volume shrink of nanosized materials accompanying the solvent removing from slurry. These downsides have plagued the practical application of nano-sized materials in energy storage systems. Attempts have been made to address these issues by increasing the particle size through spray drying, introducing conductive polymer or other self-assemble approaches, which are either complicated with special equipment or not cost-effective for large scale applications. We herein propose a facile and up-scale available approach to coat nano particles into electrodes with practically usable thickness and active mass loadings. Successful demonstration of this approach was shown in sulfur and silicon nano particles. High loading but crack-free coating for sulfur (loading: 2-8 mg sulfur/cm2) and Si (loading: 2-4 mg Si/ cm2) electrodes have been displayed. In addition, we did detailed screen for the binder selection and slurry composition modification. Base on the obtained high loading electrodes, systematical study was performed on the relationships of electrode loading, pressure, energy density and rate capability. All these obtained results will be presented at the meeting.
References
[1] A. S. Arico; P. Bruce; B. Scrosati; J. M. Tarascon; W. Van Schalkwijk, Nature Materials
2005,
4, 366.
[2] X. Ji; K. T. Lee; L. F. Nazar, Nature Materials
2009,
8, 500.
[3] J. Zheng; M. Gu; M. J. Wagner; K. A. Hays; X. Li; P. Zuo; C. Wang; J.-G. Zhang; J. Liu; J. Xiao, Journal of the Electrochemical Society
2013,
160, A1624.
[4] C. K. Chan; H. Peng; G. Liu; K. McIlwrath; X. F. Zhang; R. A. Huggins; Y. Cui, Nature Nanotechnology
2008,
3, 31.
Synthetic Strategies Impacting Voltage, Capacity, and Current Capability of Energy Storage Materials
Authors: Takeuchi Kenneth J , Marschilok Amy C , Takeuchi Esther S 
Published: February 2020

Low temperature synthetic strategies for direct control of crystallite size and composition of energy storage materials will be discussed. This ability to synthetically control material properties enabled the systematic exploration of the fundamental properties of the materials, which reveals a dependence of electrochemical reversibility, current capability, and delivered capacity on chemical or physical properties, likely crystallite size. In a more general sense, fundamental studies involving the impact of physical and chemical properties of materials on their electrochemical properties are critical in the rational development of materials, which may address the present and future requirements for stationary and portable power.

Results

Materials from several structural types could be synthetically controlled to achieve variation in crystallite size. For example, magnetite, Fe3O4, a densely packed structure could be made where the crystallite size is tightly controlled.1,2 Correlation of the electrohemical performance to crystallite size was observed where the cell using the smallest crystallite size, delivered higher capacity under pulse type testing.
A second category of materials is represented by AgxMn8O16 (silver hollandite) a tunnel structure.3 Remarkably, as the Ag:Mn ratio was varied via the synthetic approach developed for the system, concomitant changes in the crystallite size were observed.4 This enabled systematic investigation of this variable on the resultant electrochemistry. The delivered capacity, reversibility, and loaded voltage improved significantly for the small crystallite size material.5

References

1. S. Zhu; A.C. Marschilok; E.S. Takeuchi; K.J. Takeuchi. Electrochemical and Solid State Letters, 2009,
12(4), A91-A94.
2. S. Zhu; A.C. Marschilok; E.S. Takeuchi; G.T. Yee; G. Wang, G.; K.J. Takeuchi. J. Electrochem. Society,
2010,
157(11), A1158-A1163.

3. S. Zhu; A.C. Marschilok; C.-Y. Lee; E.S. Takeuchi; K.J. Takeuchi. Electrochem. Solid-State Lett.
2010,
13(8), A98-A100.
4. K.J. Takeuchi; S.Z. Yau; M.C. Menard; A.C. Marschilok; E.S. Takeuchi. ACS Applied Materials and Interfaces.
2012,
4(10), 5547-5554.
5. K.J. Takeuchi; S.Z. Yau; A. Subramanian; A.C. Marschilok; E.S. Takeuchi. J. Electrochem. Soc.
2013
, 160(5), A3090-A3094.
Effect of Solid Electrolyte Distribution in Composite Cathode on Electrochemical Properties of Solid-State Li-Air Batteries
Authors: Kim Tae Young , Ma Sang Bok , Lee Dong Joon , Choi Wonsung , Im Dongmin , Doo Seok-Kwang 
Published: February 2020

Li-air batteries have increasing attention as energy sources for automotive application due to high theoretical energy density over 3000 Wh/kg which is about 10 times greater than that of Li-ion battery [1-2]. Typical nonaqueous Li-air batteries used organic liquid electrolyte and oxygen from the air in atmosphere as active cathode material. Oxygen can be reduced and oxidized at three phase boundary in electrolyte filled-porous electrode. Excess organic liquid electrolyte may be needed to fill porous electrode and occupy nearly 70% of total weight, which makes the specific energy density of practical Li-air batteries reduced [3].
Recently, the studies for solid-state Li-air batteries with solid electrolyte have been reported [4]. Using solid electrolytes such as polymer and inorganic ionic conductors makes it possible to control proper amount in composite cathode and keeps the electrolyte from being squeezed out compared with organic liquid electrolyte. However, lithium ion conductivity of solid electrolyte is lower than that of liquid one and it is difficult to make a good interface between solid electrolyte and carbon in composite cathode. The design and internal structure in composite cathode is important to maintain the performance of solid-state Li-air batteries.
In this study, the electrochemical properties and pore structure in various composite cathodes were measured from solid-state Li-air batteries. PEO (polyethylene oxide)-based electrolyte containing LiTFSI (lithium bis(trifluoromethanesulfonyl) imide) was used as a solid electrolyte in composite cathode. The mixture of carbon and PEO was directly coated on LATP (Ohara Inc.) by screen printing method. Solid-state Li-air cell was assembled by stacking Li metal, interlayer, LATP with composite cathode and GDL (gas diffusion layer), respectively.
The AC impedance was conducted to get internal resistance in fresh composite cathode at non faradic condition. The activation energy for each resistance components was calculated by fitting the impedance spectra. The activation energy of Rinf (interface resistance between LATP and cathode) is higher than those of Rel (resistance of LATP) and Rion(resistance of Li ion transfer in cathode), which indicates kinetic barrier for Li ion transfer between LATP and solid electrolyte in cathode.
We also have studied the change of internal resistance in composite cathode with various carbons and electrolyte composition and will present our investigation.

References

[1] K. M. Abraham, Z. Jiang, J. Electrochem. Soc. 143 (1996) 1.
[2] A. Ogasawara, A. Debart, M. Holtzapfel, P. Novak, P. G. Bruce, J. Am. Chem. Soc.129 (2006) 1390.
[3] J.-G. Zhang, D. Wang, W. Xu, J. Xiao, R.E. Williford, J. Power Sources 195 (2010) 4332.
[4] H. Kitaura, H. Zhou, Energy Environ. Sci. 5 (2012) 9077.
Electrodeposition of Pd-Based Binary Catalysts on Carbon Paper Via Surface-Limited Redox-Replacement Reactions for Oxygen Reduction Reaction
Authors: Modibedi Remegia Mmalewane , Mathe Mkhulu K. , Motsoeneng Rapelang Gloria , Khotseng Lindiwe Eudora , Ozoemena Kenneth I. 
Published: February 2020

Direct alcohol fuel cells (DAFCs) continue to extensive attention as potential power sources for portable and stationary applications [1]. The oxygen reduction reaction (ORR) involving the four electron transfer remains a challenge for DAFCs due to its slow kinetics. Research activities worldwide are focussed on improving the performance of ORR catalysts, reducing the amount of Pt required in DAFCs and in addition, developing catalysts tolerant to alcohol (alcohol crossover). Pd has attracted enormous attention as it is more abundant and also cheaper than Pt [2-5].
In this presentation, Electrochemical Atomic Layer Deposition (ECALD) was used in the preparation of binary ORR catalysts. The binary nanoclusters were synthesised via surface-limited redox-replacement reaction (SLR3) with Cu as a sacrificial metal. Co-deposition of the two metals on carbon paper was also performed. ECALD is the appropriate fabrication methodology because the resultant catalysts showed good dispersion of the nanoclusters on the carbon paper. This will reduce the amount of Pt and increase the utilization of the catalyst. The prepared binary nanoclusters were evaluated for the ORR.
References:

F. Barbir, PEM Fuel Cells: Theory and Practice, Elsevier Academic Press, 2005, Oxford: p. 1-16

A. Kiani, E.N. Fard, Fabrication of palladium coated nanoporous gold film electrode via underpotential deposition and spontaneous metal replacement: A low palladium loading electrode with electrocatalytic activity, Electrochim. Acta. 54 (2009) 7254-7259.

T.S. Mkwizu, M.K. Mathe, I. Cukrowski, Electrodeposition of Multilayered Bimetallic Nanoclusters of Ruthenium and Platinum via Surface-Limited Redox− Replacement Reactions for Electrocatalytic Applications, Langmuir. 26 (2009) 570-580.

L.B. Sheridan, D.K. Gebregziabiher, J.L. Stickney, D.B. Robinson, Formation of Palladium nanofilms using Electrochemical Atomic Layer Deposition (E-ALD) with Chloride complexation, Langmuir 29 (2013) 1592

R.M. Modibedi, M.K. Mathe, R.G. Motsoeneng, L.E. Khotseng, K.I. Ozoemena, E.K. Louw, Electro-deposition of Pd on Carbon paper and Ni foam via surface limited redox-replacement reaction for oxygen reduction reaction, Electrochimica Acta (2013), accepted for publication
Evidence for Oxygen Reduction Reaction Activity of a Ni(OH)2/Graphene Oxide Catalyst
Authors: Farjami Elaheh , Rottmayer Michael , Deiner L Jay 
Published: February 2020

Effective catalysis of the oxygen reduction reaction in alkaline solution is crucial to a variety of electrochemical energy storage and conversion devices like metal-air batteries and alkaline fuel cells. While Pt-based catalysts exhibit excellent activity, their high cost and lack of stability motivates the search for alternative electrocatalysts. Non-noble metal oxides like MnxOy have shown particular promise, especially when supported by carbon nanomaterials like graphene. Most recently, the performance and stability of a MnxOy has shown additional improvement with the doping of Ni(OH)2. The performance improvement is typically ascribed to stabilization of the Mn3+/Mn4+ couple, but it is also possible that Ni(OH)2 itself displays significant oxygen reduction reaction catalytic activity. This work provides the first report of the oxygen reduction reaction activity of a Ni(OH)2nanoparticle catalyst supported by graphene oxide in basic media.
A Ni(OH)2/graphene oxide material was synthesized using a single step microwave reduction method. Cyclic voltammetry shows that the Ni(OH)2/graphene oxide material has a peak potential of -310 mV vs. Ag/AgCl, a shift of + 110 mV as compared to the unsupported Ni(OH)2 nanoparticles and + 90 mV as compared to the graphene oxide support alone. Rotating disk electrode studies confirm that the activity of the Ni(OH)2/graphene oxide catalyst is greater than either the graphene oxide support or the Ni(OH)2 nanoparticles alone. Significantly, the limiting current density of the oxygen reduction reaction on the Ni(OH)2/graphene oxide catalyst is 1.3 mA/cm2 (as normalized by electrochemically active surface area) and the electron transfer number is 3.5. Chronoamperometry demonstrates that the Ni(OH)2/graphene oxide material is relatively stable, with the oxygen reduction current density sustaining a steady state value of 60 % of its initial value. Electrochemical impedance spectroscopy shows that the charge transfer resistance of the Ni(OH)2/graphene oxide catalyst is lower than either the Ni(OH)2 nanoparticles or the graphene oxide support. Taken together, these data indicate that the Ni(OH)2/graphene oxide catalyst exhibits significant oxygen reduction reaction activity which may be related to the interaction of the support and the nanoparticles.
Tin Oxide Nanowires As High Energy Density Anodes for Lithium-Ion Batteries
Authors: Nguyen Tu Quang , Thapa Arjun K , Vendra Venkat Kalyan , Jasinski Jacek B , Sunkara Mahendra Kumar 
Published: February 2020

Recently, tin oxide has attracted great attention as an anode for lithium ion batteries due to their high theoretical capacity of 782 mAhg-1 which is two times higher than that of current commercial graphite anode. However, the main challenges for employing tin oxide as anode are the huge volume expansion during cycling leading to electrode pulverization and irreversible capacity loss due to SEI formation. In this presentation, we report two kinds of tin oxide nanowire structures: (1) tin nanocluster covered tin oxide nanowires, (2) titania coated tin oxide nanowires. Both structures showed high capacity retention and much less morphological degradation. In addition, we also demonstrated a new method called "Solvo-plasma" for large scale production of tin oxide nanowire powders. Even at lab scale, we demonstrated production rates of 8 grams per hour [1] (See Figure 1a).
The tin nanocluster covered tin oxide nanowires show an exceptional capacity of 814 mAhg-1 even after 100 cycles at a high current density of 100 mA/g [2]. Recently, thin protective coatings are of great interest for enhancing the durability. Here, we demonstrate that such a thin layer of protective coating of titania or alumina using atomic layer deposition technique could stabilize and improve cyclability. Figure 1b shows a 5 nm titania layer coated on tin oxide nanowires. Without coating, tin oxide nanowires exhibited a very low capacity of 300 mAhg-1. With a 5 nm titania layer, the capacity retention increased to 767 and 664 mAhg-1(Figure 1c) at the current density of 700 and 1500 mA/g after 30 cycles, respectively [3]. The protective coatings also reduced the irreversible capacity losses associated with SEI formation.
Figure 1: a) SEM image of SnO2 NWs using Solvo-plasma synthesis, b) TEM image showing a thin layer of titania on tin oxide nanowires, c) the capacity retention at different current densities compared with non-coating tin oxide nanowires

References

[1] Nguyen et al., manuscript in preparation
[2] P. Meduri, C. Pendyala, V. Kumar, G. U. Sumanasekera, M. K. Sunkara, Nano lett.
2009, 9, 612.
[3] T. Q. Nguyen, A. K. Thapa, V. K. Vendra, J. B. Jasinski, G. U. Sumanasekera and M. K. Sunkara. RSC Advances (accepted 2013)
Clean Energy from Ethanol: Efficient Oxidation of Ethanol in Solid Oxide Fuel Cell Via a New Reformer Catalyst
Authors: Kowal Andrzej , Adzic Radoslav , Parlinska-Wojtan Magdalena , Pokora Monika , Martyla Agnieszka , Nowak Ryszard 
Published: February 2020

The possibility of obtaining electrical energy from bio-ethanol provokes an increased interest in Direct Ethanol Fuel Cells (DEFC). Commercial platinum nano catalysts do not facilitate a complete oxidation of ethanol. Ternary PtRhSnO2 catalysts are able to split the C-C bond and oxidize ethanol to CO2at room temperature [1- 2], but require further development.
In order to improve the efficiency of high-temperature solid oxide fuel cells (SOFCs), particularly those utilizing ethanol as a fuel (ESOFC), our recent research focused on the catalysts that increase the power density of such fuel cells. The systems studied were based on nano-oxides such as SnO2, SnO2/Sb2O5, CeO2 and TiO2. The structural properties of such synthesized oxides were evaluated using XRD and HRTEM. These oxides were then deposited on nickel foam and used in an external reformer converting ethanol to H2. Reformed ethanol was fed to an anode of the SOFC . The Ni/CeO2catalyst in the external reformer, combined with SOFC, gives the highest power density of ESOFC (Ethanol Solid Oxide Fuel Cell).
[1] Kowal A., et al., Nature Materials , 2009, 9, 325.
[2] Adzic R, Kowal A., (Brookhaven National Laboratory), Patent Application Publication , Pub. No. US2009/0068505 A1 (Mar. 12,2009).
Investigating the Redox Abilities of DNA Aptamers Bound to Redox Cofactors for Possible Application in Biofuel Cells
Authors: Emahi Ismaila , Gruenke Paige R , Freitag Lucy , Baum Dana A 
Published: February 2020

Aptamers are single-stranded RNA or DNA sequences that can bind to a target with affinity and specificity. Deoxyribozymes or DNA enzymes represent another type of functional, single-stranded DNA that can catalyze chemical reactions. Both aptamers and deoxyribozymes could find potential use in a number of applications, including biofuel cells. These functional DNAs are identified through an iterative process termed in vitro selection. This process allows one to develop customized catalysts made of DNA that can function under the desired application conditions. Compared to proteins, DNA is cheaper to synthesize, easily modified for attachment to surfaces such as electrodes, and stable under various conditions. It is therefore desirable to exploit these properties of DNA for use in various applications. For example, a deoxyribozyme capable of peroxidase activity has been identified, and our lab has demonstrated the ability of this deoxyribozyme to function in a biofuel cell.
As a long term goal, we are interested in replacing protein enzymes with DNA catalysts in enzymatic biofuel cells because of challenges encountered, such as limited enzyme lifetime and low power densities. We are therefore investigating whether we could identify DNA sequences that may bind to redox cofactors in order to create an active site and mimic oxidoreductases. Oxidoreductase protein enzymes contain cofactors in their active sites that allow the enzymes to do redox chemistry. In enzymatic biofuel cells, the redox cofactors act as electron-transfer shuttles to transport electrons between the enzymes’ active sites and electrode surfaces. We reason that binding of DNA aptamers to the cofactors could provide a stable environment that allows the cofactor to be easily accessible to the electrode’s surface with improved electron transfer. We are focusing our efforts on the three commonly used redox cofactors: flavin adenine dinucleotide (FAD), nicotinamide adenine dinucleotide (NAD+) and pyrroloquinoline quinone (PQQ).
Using in vitro selection, we have isolated DNA aptamers that bind to PQQ. To assess the usefulness of these aptamer-cofactor complexes in biofuel cells, we conducted spectroscopic redox assays which showed that PQQ’s redox ability is not affected upon aptamer binding. We are currently using electrochemical techniques to further investigate the redox abilities of the PQQ-DNA complexes. Aptamers for FAD and NAD+ have previously been reported. We are also testing their redox abilities to compare how each cofactor is affected by aptamer binding. The results of these experiments as well as progress towards incorporating these aptamer-cofactor complexes in biofuel cells will be presented.
Biobattery with Enzymatic Cathode and Zinc Anode for Powering Neurotransmitter Sensor
Authors: Bilewicz Renata 
Published: February 2020

Renata Bilewicz, Dominika Majdecka, Michal Kizling, Krzysztof Stolarczyk, Paweł Krysiński, Jerzy Golimowski,
Faculty of Chemistry, University of Warsaw Pasteura 1, Warszawa 02-093, Poland
The advantages of biobatteries include easy miniaturization and utility for powering small devices e.g. sensors, switches, watches and other electronic devices. Recently, we have shown the biobattery parameters and its application for powering a clock [1]. Our aim was to optimize the construction of the biobattery and couple it with a biosensor for neurotransmitter detection. Arylated multiwall carbon nanotubes with bound laccase are used on the cathode for the reduction of oxygen and zinc disc covered with hopeite is the anode. Arylated carbon nanotubes increase the working surface of the electrode, and provide direct contact with the active sites of laccase. The electrode substrate is carbon paper. The zinc – air sandwich biobattery works under stationary or flow conditions. Parameters and time dependencies of the flow cell were evaluated. The system including the sandwich biobattery connected with the sensor was employed for monitoring selected neurotransmitters.

K. Stolarczyk; M. Kizling; D. Majdecka; K. Zelechowska; J. F Biernat; J. Rogalski; R. Bilewicz „Biobatteries and Biofuel Cells with Biphenylated Carbon Nanotubes” J. Power Sources
2014, 249, 263–269.