bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis and Electrochemical Properties of Thiophene-Based Polymers As Organic Cathode Materials for Lithium-Ion Batteries
Authors: Tanizawa Hideya , Shimizu Akihiro , Yaso Yusuke , Inatomi Yuu , Hojo Nobuhiko , Suzuki Hirotetsu , Yoshida Jun-ichi 
Published: February 2020

Organic rechargeable batteries have received significant research interest in terms of structural diversity, flexibility, and sustainability of organic active materials. We have previously reported that polymethacrylate-bound pyrene-4,5,9,10-tetraone (PYT) serves as an excellent cathode material. However, the search for better polymer structures is still required to develop better cathode materials.
Herein we report thiophene-based polymers, poly[(thiophene)-alt-(PYT)] (PTPYT, 1) and Poly[3-(dioxodihydroquinoxalinyl)thiophen-2,5-diyl] (2). As a core structures we chose not only PYT but also quinoxaline-5,8-dione (QD) because QD has high theoretical capacity of 335 mAh/g and high discharge voltage of 2.8 V vs. Li/Li+. The charge–discharge behavior of the polymers 1 and 2 was studied using a coin-type cell using LiPF6/propylene carbonate (LiPF6/PC) or LiN(SO2CF3)2/dimethoxy ethane (LiTFSI/DME) as electrolytes. The battery composed of 1 and that composed of 2 exhibited reversible discharge–charge behavior with average discharge voltages of ca. 2.4 and 2.8 V vs. Li/Li+, respectively. The batteries exhibited good cyclability and after 20 charge–discharge cycles, they retained 65% - 85% of the initial capacity.Organic rechargeable batteries have received significant research interest in terms of structural diversity, flexibility, and sustainability of organic active materials. We have previously reported that polymethacrylate-bound pyrene-4,5,9,10-tetraone (PYT) serves as an excellent cathode material. However, the search for better polymer structures is still required to develop better cathode materials.
Herein we report thiophene-based polymers, poly[(thiophene)-alt-(PYT)] (PTPYT, 1) and Poly[3-(dioxodihydroquinoxalinyl)thiophen-2,5-diyl] (2). As a core structures we chose not only PYT but also quinoxaline-5,8-dione (QD) because QD has high theoretical capacity of 335 mAh/g and high discharge voltage of 2.8 V vs. Li/Li+. The charge–discharge behavior of the polymers 1 and 2 was studied using a coin-type cell using LiPF6/propylene carbonate (LiPF6/PC) or LiN(SO2CF3)2/dimethoxy ethane (LiTFSI/DME) as electrolytes. The battery composed of 1 and that composed of 2 exhibited reversible discharge–charge behavior with average discharge voltages of ca. 2.4 and 2.8 V vs. Li/Li+, respectively. The batteries exhibited good cyclability and after 20 charge–discharge cycles, they retained 65% - 85% of the initial capacity.
Hole Transfer Property at Single Crystal Prepared from Triphenylamine-Derivative Based on Solubility and Supersolubility Curves
Authors: Nakasone Yasuaki , Shironita Sayoko , Nagayama Norio , Umeda Minoru 
Published: February 2020

In this report, we describe anisotropic hole transport in a triphenylamine-derivative single crystal prepared by a solution method with solubility and supersolubility curves. Triphenylamine derivatives are commonly used as a hole-transport material for organic devices. In the electrophotographic photoconductors, the materials are used in an amorphous form, in which charge carrier mobility is in the order of ~104 cm2V-1s-1. For realizing a further high mobility as an organic semiconductor, preparation of a single crystal seems to be a promissing way. In this study, a single crystal of a trihenylamine derivative (TPA : α-Phenyl-4'-[(4-methoxyphenyl)phenylamino]stilbene) was prepared and its anisotropic hole transport property was measured.
Firstly, solubility and supersolubility curves were measured employing a tetrahydrofuran (THF) as a solvent. Based on the results, a single crystal preparation was conducted using 45 wt.% TPA solution with a cooling rate of 0.125 °Ch-1 started from 35°C for 48 h, resulted in a crystal of 8 x 0.8 x 0.4 mm. A polarizing microscope observation demonstrated an extinction angle, which ensures that the TPA single crystal is obtained.
Next, current-voltage properties of the TPA single crystal were measured in a vacuum chamber connected to a source meter (Keythley 2612A). For the measurement, A set of Au parallel electrodes with a distance of 20 μm were vacuum deposited on the crystal. From the results, long-axis (direction of 8 mm at TPA single crystal) current is larger than the short-axis (direction of 0.8 mm at TPA single crystal) current, which reveals anisotropic hole transport in the crystal is observed. This can be well explained by a molecular orientation of the crystal structure.

Figure 1
Innovation of New Luciferin Analog for In Vivo Imaging
Authors: Saito Ryohei , Kiyama Masahiro , Kitada Nobuo , Higashi Shoko , Iwano Satoshi , Obata Rika , Niwa Haruki , Hirano Takashi , Maki Shojiro 
Published: February 2020

【Introduction】
We are innovating new imaging technologies by using organic chemistry. For making advanced medicinal technology, in vivo imaging is needed. So, we have been developing compounds suitable for deep in vivo imaging.
【Background】
It is very difficult for deep in vivo imaging to be absorbed and scattered light in living tissue. But, it is well known that the light in the near infrared region (NIR) has high permeability for the living tissue. It is a challenge to visualize in vivo deep imaging by developing an imaging material that has NIR emission. We have got structure-activity relationship data on the firefly luciferin luciferase reaction. According to the structure-activity relationship data on luciferin analogues, we have designed and marked NIR probe “AkalumineⓇ, (WAKO pure chemical LTD.). AkalumineⓇ gives a higher brightness compared with the natural firefly luciferin because of high permeability AkalumineⓇ in tissue.
【Purpose】
We try to rise concentration of the firefly luciferin for high dose. But we faced difficulty that AkalumineⓇ has low water-soluble.
For various applications, “high dose” is key technology on in vivo imaging.
Based on the AkalumineⓇstructure, new luciferin analogues have designed and synthesized three types.
【Result and conclusion】
We made the substances of three new luciferin analogues. One of these emits in the NIR and another has water-solubility increased by 15 fold for AkalumineⓇ.
We will apply new probe to the animal for conforming practical ability and discuss these new luciferin analogues for in vivo imaging technology.
Biological Decontamination of Water Using Non-Thermal Plasma Treatment
Authors: Abdel-Fattah Tarek M , Cetinkaya Ekrem , Pell William , Malik Muhammad 
Published: February 2020

The field of biological decontamination of water using non-thermal plasma formation is a novel and rapidly growing field due to its importance for environmental sustainability. The current method of decontaminating water is by adding chemicals that destroy harmful bacteria and viral pathogens. However, this has the risk of forming chemical byproducts that could also be harmful to humans. The way non-thermal plasma works is by ionizing gas and water molecules under pulsed electric fields. It results in shockwaves, reactive species like hydroxyl radicals, atomic oxygen and ozone; all of which aid in effectively killing the bacteria, rendering the water safe to drink and free of harmful byproducts. The plasma is generated in a reaction chamber by applying pulsed high voltage pulses of nano-second duration across two parallel strip electrodes.

E. coligrown in Luria’s Broth was inoculated in to sterilized water which ran through the plasma chamber at 1 mL per minute. The obtained water was diluted and plated on agar plates. A control was conducted in order to study the effect of plasma. The obtained plates were incubated and the colony forming units (CFUs) were counted after incubation. The results obtained showed a 65% decrease from 244 CFUs to 89 CFUs significantly reducing the bacterial count from the control.
The significance of an alternative decontamination method, both cost effective and safe will be an answer to the increasing scarcity of clean water all around the world. This method will especially be useful in developing countries.

References:

1) Anpilov, A., Barkhudarov, E., Christofi, N., Kop'ev, V., Kossyi, I., Taktakishvili, M., and Zadiraka, Y. Pulsed high voltage electric discharge disinfection of microbially contaminated liquids.
2002, Letters in Applied Microbiology, 35(1), 90-94.
2) Barkhudarov, E. M., Kossyi, I. A., Kozlov, Y. N., Temchin, S. M., Taktakishvili, M. I., and Christofi, N. Multispark discharge in water as a method of environmental sustainability problems solution. 2013, Journal of Atomic and Molecular Physics,
3) Malik M. A., Ghaffar A. and Malik S. A. 2001, Plasma Sources Sci. Technol. 10 82–91
Designing IrO2 Nanoparticles for Oxygen Evolution
Authors: Sen Fatih G. , Kinaci Alper , Narayanan Badri , Davis Michael J. , Gray Stephen K. , Sankaranarayanan Subramanian K. R. S. , Chan Maria K. Y. 
Published: February 2020

IrO2 is one of the most efficient electrocatalyst for the oxygen evolution reaction (OER) and water splitting process for the efficient solar energy into fuel (H2) generation. In solar fuels, IrO2 is used in the form of supported nanoparticles and its catalytic activity strongly depends on the size and shape of nanoparticles. Atomistic modeling of IrO2 nanoparticles with different sizes and shapes can enable fundamental understanding of catalytic processes govern at nanoparticle surfaces. Here, we used density functional theory (DFT) and variable charge force field calculations to study catalytic activity changes at the surfaces, edges and corners on the nanoparticle. We used O adsorption energy as a descriptor for the catalytic activity for water splitting reaction and determined the activity changes with respect to atomic coordination and charge transfer at different active sites on the nanoparticle. Calculations with the developed variable charge force field enable investigation of thermodynamic stability of relatively large (up to 2 nm) IrO2 nanoparticles with different shapes. We construct a metric to describe the overall catalytic activity of a nanoparticle and describe the effects of nanoparticle shape and size on the catalytic activity in terms of surface coordination changes, charge transfer and structural stability. Our results will shed light on the design and development of stable nanoscale IrO2 nanoparticle electrocatalytsts that efficiently utilize solar energy for water splitting reaction.
ACKNOWLEDGEMENT: Use of the Center for Nanoscale Materials was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. The submitted abstract has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory (“Argonne”). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. The U.S. Government retains for itself, and others acting on its behalf, a paid-up nonexclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government.
Electrochemistry with Ion Transfer Processes at Microhole-Liquid/Gel Interfaces for Sensing Applications
Authors: Lee Hye Jin 
Published: February 2020

There have been extensive efforts made on developing highly sensitive and selective electrochemical sensing technologies for a wide spectrum of environmental, biological and food research applications. In this talk, we will discuss our latest achievements made on creating electrochemical sensing platforms composed of microhole supported-water/gel interfaces (micro-ITIES) for the highly selective and sensitive detection of environmentally toxic and pharmaceutical reagents. A single or an array of microholes fabricated on a thin polymer film (e.g., polyethylene terephthalate) was filled with a hydrophobic polyvinylchloride-nitrophenylocytylether (PVC-NPOE) gel to create microhole-ITIES. For example, a Cu(II) ion selective sensor was designed utilizing the assisted transfer reaction of Cu(II) by a novel Cu(II) selective ionophore, picolinamide-PV in the gel layer [1]. In addition, sodium, potassium and calcium selective sensing platforms incorporating each target selective ionophores in the gel was developed for ion analysis in biological fluids including urine, serum and plasma [2]; the concentration of each ions was determined by measuring the current associated with the transfer of Na+, K+ and Ca2+ across the microhole-ITIES assisted by dibenzo-18-crown-6, valinomycin and ETH-129, respecively. These sensors can also be fabricated on a disposable sensing chip platform for convenient field applications. Last example is the use of microhole-ITIES for developing selective sensing platforms for pharmaceutical drugs such as topotecan [3], doxorubicin, tetracycline, levofloxaxin in biological fluids and stream and river water samples. In order to enhance the sensitivity of the sensors, differential pulse stripping voltammetry was used via holding the transferring potential of each analytes for a certain time to enrich the target ions in the gel layer followed by stripping of the ions from the gel to water phase. Lastly, future aspects of microhole-ITIES for ion sensing applications will be discussed.

References
[1] S. H. Lee, J. Sumranjit, P. Tongkate, B. H. Chung, H. J. Lee. Eelectrochim. Acta. 123 (2014) 198.
[2] F. S. Diba, H. J. Lee. J.
Electroanal.
Chem.
769, (2016) 5.
[3] H. R. Kim, C. M. Pererira, H. Y. Han, H. J. Lee. Anal. Chem.
87, (2015) 5356.
Preparation of Pt@Cu Core-Shell Particles Incorporated in Poly-(3,4-ethylenedioxythiophene) for Catalytic Applications
Authors: Peipmann Ralf , Endrikat Anna , Bund Andreas 
Published: February 2020

Hybrid materials offer the possibility to combine advantageous properties of the individual components. In the macroscopic world adobe or reinforced concrete are well known examples. The same principle can also be applied to electrodes for electro-catalytic reactions. The usually precious metal catalyst like Pt for fuel cells (or Au for sensors) is reduced in size (and thus in costs) to smaller and smaller particles which are bonded to supporting surfaces.
An interesting approach is to prepare a porous matrix in which these catalytic particles can be homogeneously incorporated. Promising candidates are conducting polymers like poly-(3,4-ethylenedioxythiophene) (PEDOT) whose structure can be tuned by the used electrolyte and/or the supporting electrolyte.
To homogeneously incorporate the particles they should be prepared in situ with the polymer which is possible by cyclic voltammetry or (reversed) pulse methods. As Pt2+ has the possibility to oxidize EDOT directly we deposited Cu as an intermediate with the polymer by cyclic voltammetry. In a second step a chemical exchange reaction was performed using a Pt4+containing solution. This approach can yield Pt@Cu core shell particles embedded in a polymer matrix. A positive effect of this is also that the electronic structure of the Pt layer is modified by the underlying Cu core which can lead to enhanced catalytic activities.
The cyclic voltammograms of the preparation of PEDOT/Cu films show a superposition of PEDOT and Cu features. At potentials more positive than ca. 0.9 V vs. Ag/AgCl sat. KCl polymerization of EDOT occurs while at more negative potentials the capacitive behaviour of the PEDOT film dominates next to the Cu redox waves at ca. 50 mV. SEM/EDX analyses showed that thus prepared films contain 10 to 17 wt% Cu depending on the switch-off potential. If the preparation stopped before Cu oxidation Cu crystallites could be observed on the PEDOT surface and the Cu content was higher. In the case of well oxidized films no distinct Cu centres could be found (see figure 1).
The chemical exchange reaction with Pt was monitored by a quartz crystal microbalance (QCM). According to QCM data the deposited mass of Pt corresponds to ca. 60 monolayers on the geometric area.
This contribution will discuss the preparation of the PEDOT/Pt@Cu hybrid films as well as the electrochemical and mechanical characterization of these films. This will include CV and impedance (EIS) data as well as QCM data.
Fig. 1. SEM images of a PEDOT/Cu film with the preparation stopped at potentials negative to the Cu redox potential.
(left) top view of the surface and (right) FIB cross section.

Figure 1
New Software for Simulation of Electrochemical Reaction Mechanisms of Any Complexity
Authors: Svir Irina , Klymenko Oleksiy , Oleinick Alexander , Amatore Christian Andre 
Published: February 2020

We introduce here our scientific software KISSA designed for automatic simulation of electrochemical reaction mechanisms of any complexity, including those leading to ECL emission at planar, (hemi)spherical and (hemi)cylindrical working electrodes (KISSA-1D) as well as at microelectrodes such as disk or band (KISSA-2D).
Simulations are performed by KISSA using a novel approach [1, 2] developed by the authors which involves conformal coordinate transformations to overcome the numerical difficulties arising from diffusional propagation of species and automatic grid adaptation based on the detection of large kinetic terms to obtain accurate results for both concentrations and electrochemical currents even in the presence of steep concentration gradients. This approach allows for efficient resolution of all physicochemical and mathematical issues connected both with edge effects (nano- and microelectrodes) and considerable disparity of time and length scales of the underlying processes arising due to quickly changing electrode potential and/or extremely rapid homogeneous chemical reactions for any complex mechanisms.
The software offers a possibility to take into account spontaneous natural convection which limits the extent of the diffusion layer and leads to the establishment of a steady state current even at macroelectrodes. Furthermore, this enables setting correct and thermodynamically consistent initial conditions within the stagnant layer when the system is pre-equilibrated at a given rest potential for a finite period of time [3]. The software also allows simulating complex adsorption dynamics, i.e., kinetics and chemical reactions involving surface-bound species [4, 5].
The programs offer convenient entry of a reaction mechanism and parameters and provide access to the computed dynamic spatial distributions of all important quantities such as currents and current densities, concentration distributions of all reactants, surface coverage of adsorbed species [4, 5] as well as ECL intensity [6] (if applicable) through a graphical user interface [7].
[1] C. Amatore, O.V. Klymenko, I. Svir, Electrochem. Commun. 12 (2010) 1170.
[2] O.V. Klymenko, I. Svir, A. Oleinick, C. Amatore, ChemPhysChem 13 (2012) 845.
[3] C. Amatore, O.V. Klymenko, I. Svir, Anal. Chem. 84 (2012) 2792.
[4] O.V. Klymenko, I. Svir, C. Amatore, J. Electroanal. Chem. 688 (2013) 320.
[5] O.V. Klymenko, I. Svir, C. Amatore, Molecular Physics, 112 (2014) 1273.
[6] O.V. Klymenko, I. Svir, C. Amatore, ChemPhysChem, 14 (2013) 2237.
[7] http://kissagroup.com/index.php/bibliography
In-Situ Electrochemical Microscopy Techniques (AFM-SECM, sMIM and Liquid SEM) to Study Solid/Liquid Interface
Authors: Velmurugan Jeyavel , Agarwal Amit , An Sangmin , Choudhary Eric , Stevanovic Ana , Yi Feng , LaVan David , Tselev Alexander , Ievlev Anton , Kalinin Sergei V. , Kolmakov Andrei , Szalai Veronika 
Published: February 2020

Ever since the invention of the scanning probe and electron microscope, a goal has been to image liquid specimens as easily as in a light microscope, and to measure liquid processes with a good resolution in both spatial and temporal. Direct observation of electrochemical processes is essential to develop electrochemical models, optimize nanostructures, and understand reaction mechanisms. We have developed and improved some in-situtechniques and tested them on electrochemical processes.
In an attempt to have improved topography and surface reactivity information, we have designed and fabricated nanometer sized scanning probe tips for combined atomic force microscopy (AFM) and scanning electrochemical microscopy (SECM). We report here the characterization of these tips using an in-house fabricated calibration sample and a model anode. In another approach we have used scanning near-field microwave microscopy (sMIM) for imaging in liquids using ultrathin molecular impermeable membranes separating scanning probes from samples enclosed in environmental cells. We imaged a process of dendritic growth during model electroplating reaction. Due to very small energy of few gigahertz microwaves we demonstrate the advantages of this microscopy for non-destructive artifact-free imaging compared to electron microscopy [1]. Different to TEM in liquids which has been used successfully to study the electrochemical processes very little research has been performed using liquid SEM [2]. We explore this imaging modality and describe here a novel chip [3,4] and cell designs enabling us to study Ag electrodeposition in real time using SEM in liquids. All these techniques are complementary and well suited for in situelectrochemistry. These examples demonstrate the versatility of these techniques and can be extended to other applications such as corrosion, battery and bio-medical research.
References:
[1] A. Tselev, J. Velmurugan, A. Ievlev, S. Kalinin,and A. Kolmakov ACS Nano, 10 (3),3562, 2016
[2] E. Jensen, C. Kobler, P. S. Jensen and K. Molhave, Ultramicroscopy, 129, 63, 2013
[3] F. Yi, W. Osborn, J. Betz, J and D.A. LaVan Microelectromechanical Systems, 24, 1185, 2015
[4] M. D. Grapes, T. LaGrange, L.H. Friedman, B. W. Reed, G. H. Campbell, T. P. Weihs and D. A. LaVan Review of Scientific Instruments, 85, 084902, 2014