bluuebunny/crossref_metadata_2025_split huggingface dataset:
Measurement and Characterization of Li-Ion Battery Single Particles
Authors: Miller Dean J 
Published: February 2020

One of the challenges in correlating Li-ion battery performance with structure is the fact that most measurements provide average properties that are difficult to correlate with local microstructure. We approach this challenge by electrochemical cycling of single particles upon which detailed characterization can be carried out before and after various periods of cycling. The electrochemical cycling of single particles shows the same characteristic signatures as those observed in measurement of coin cells, confirming the validity of these measurements to global behavior. By using a measurement platform compatible with a variety of microstructural characterization approaches, we are able to characterize single particles at various points in cycling, providing an improved opportunity to correlate changes in structure with changes in electrochemical performance. This presentation will detail our approach and the insights gained from these correlated measurements.
*Research sponsored by the U.S. DOE, Office of Science and by the U.S. DOE, EERE – Vehicle Technologies Program, under contract DE-AC02-06CH11357. The Electron Microscopy Center is supported by the Office of Science.
On Various Hydrocarbon Ion Conducting Membranes for a Vanadium Redox Flow Battery
Authors: Lee Mi-Soon , Choi Young-Woo , Jeon Jae-Deok , Nahm KeeSuk 
Published: February 2020

Several types of ion conducting membranes such as cation exchange membrane, anion exchange membrane, and amphoteric membrane with low vanadium co-ion crossover were evaluated for a vanadium redox flow battery. Three kinds of polymer electrolytes consisting of caion exchangable or anion exchangable or aphoteric functionals were introduced into porous hydrocarbon substrates and crosslink-polymerized by radical polymerization in this work. The thickness of the prepared membranes was controlled between 20 and 25 micrometers to extremely lower membrane resistances. Finally, film-like polymer electrolyte membranes were prepared. To compare membrane property a cast type of caion exchange membrane was also prepared. The prepared four different types of pore-filling membranes and a cast membrane were examined to compare vanadium co-ion crossover through the membranes. Also, the physico-chemical properties of the prepared membranes such as swelling behavior, membrane area resistance were investigated to apply for charge-discharge performance in correlation with the electrolyte composition.

Figure 1
Study on the Electrochemical Characteristics of Multiwalled CNTs Decorated By Various Oxygen Functional Groups (Non-Aqueous and Aqueous based Electrolytes)
Authors: Oktaviano Haryo Satriya , Wajima Mikiya , Waki Keiko 
Published: February 2020

Functionalized nano carbon have been reported as promising cathode materials for Li ion battery (LIB).[1-2] Unlike the conventional Li intercalation into host material, the Li storage mechanism on this materials was thought to be the Faradaic reaction between surface functional groups and Li, C=O + Li+ + e- = C-O-Li.[1-2] Introducing functional groups on few walled carbon nanotubes (CNTs) by acid treatment resulted in Li storage capacity up to 120 mAh/g.[2] However, the origin of which functional groups is responsible for such reaction still elusive. A better understanding on the electrochemical characteristics of functionalized nano carbon is not only important for LIB storage but also aqueous based electrochemical systems.
It is known that there are two major dominant surface groups present on functionalized CNTs; they are carboxyl and carbonyls.[3] To be able to study the electrochemical characteristics of different oxygen functional groups, controlling the type of surface groups on CNTs is obligatory. Here, different kind of functional groups are introduced onto multiwalled CNTs (VGCFX) by varying different oxidizing agent, such as reflux under inorganic acid solution or reacting with organic acid (i.e. citric acid). Furthermore, by annealing at certain temperatures, we also could selectively attain the functional groups present on the surface of CNTs. The electrochemical studies of oxygen functional groups are carried out in non-aqueous (organic) and aqueous based electrolytes, to obtain comprehensive knowledge on the functional groups reactivity.
On the other hand, X-ray photoelectron spectroscopy (XPS) and temperature programmed desorption (TPD) are extensively used to examine the type and amount of surface groups. Fig. 1 shows the C1s XPS spectra of two of different samples, they are acid treated CNTs (HA) and citric acid treated HA (HA-CA). Briefly, acid treated CNTs was derived from refluxing pristine CNTs in the mixture of H2SO4/HNO3, while citric acid treatment was conducted by mixing the HA with citric acid, followed by annealing in air at 300 oC. It can be seen from XPS scan, that HA-CA has an appeared peak relating to the carboxyl group (288.9 eV) than HA. This suggests that citric acid treatment is plausible to introduce carboxyl groups on the surface of multiwalled CNTs. The roles of the oxygen functional groups play in the electrochemical characteristics will be discussed in the presentation.
References
[1] S. W. Lee, N. Yabuuchi, B. M. Gallant, S. Chen, B. S. Kim, P. T. Hammond, and Y. S. Horn, Nature Nanotechnology, 5, 531 (2010)
[2] S. W. Lee, B. M. Gallant, Y. Lee, N. Yoshida, D. Y. Kim, Y. Yamada, S. Noda, A. Yamada, and Y. S. Horn, Energy Environ. Sci., 5, 5437 (2012)
[3] K. Waki, R. A. Wong, H.S. Oktaviano, T. Fujio, T. Nagai, K. Kimoto, and K. Yamada, Energy Environ. Sci., 7, 1950 (2014)

Figure 1
Modeling the Thermal Behavior of a Lithium-Ion Battery Module for Hybrid Electric Vehicle Applications
Authors: Koo Boram , Yi Jaeshin , Shin Chee Burm 
Published: February 2020

The lithium-ion battery (LIB) is a preferred power source for hybrid electric vehicle (HEV) applications due to its outstanding characteristics such as high energy density, modular scalability, long cycle life, and low self-discharge rate among others. In a battery module for HEV applications, an uneven temperature distribution in the module can be created depending on the operating conditions and the types of thermal management. Uneven temperature distribution in a module could cause an electrical imbalance and thus lead to the lower performance and shorter life of battery. It is, therefore, important to calculate accurately the uneven temperature distribution in a battery module in order to achieve the optimum performance and long life of the battery module.
In this work, a modeling is performed to investigate the effect of the operating condition on the thermal behavior of an LIB module. The thermal conductivities of the various compartments of a battery cell are estimated based on the equivalent network of parallel/series thermal resistances of the battery components. The heat generation rate in an LIB cell is calculated by using the modeling results of the potential and current density distribution of a battery cell. The temperature distributions in the LIB module obtained from the modeling are in good agreement with the experimental measurement.
The battery module consisting of 8 prismatic pouch-type LIB cells modeled in this work is shown in Fig. 1. In Fig. 2, the temperature distributions of the LIB cells within the module at a few cross sections along the y direction are shown at the discharge time of 960 s with the discharge rate of 3C for natural convection cooling. The temperatures of the two cells located at the bottom and top of the module are lower than those of the other cells.

Figure 1
Surface Chemistry, Charge Transfer, and Transport in La0.1Sr0.9TiO3-Alpha-Based Solid Oxide Fuel Cell Anodes: Modeling and Experimental Study
Authors: Yurkiv Vitaliy , Constantin Guillaume , Hornes Aitor , Gondolini Angela , Mercadelli Elisa , Sanson Alessandra , Dessemond Laurent , Costa Rémi 
Published: February 2020

Ni/YSZ composite materials have shown the tremendous success over past years for application as SOFC anodes. One of the biggest advantages of Ni/YSZ SOFC anode is its ability of direct utilization of various fuel types, i.e. H2/H2O, CO/CO2 and hydrocarbons. It is, however, well known that operation of those anodes upon various fuels could cause various types of cell degradation. Therefore, the replacement of Ni cermet with alternative ceramic materials is essential to develop long-term operating SOFC technology.
In the present contribution, we combine modeling and experimental study of electrochemical hydrogen oxidation at an alternative perovskite based mixed-conducting SOFC anode. Composite electrodes were produced by conventional wet ceramic processing (screen printing – spraying) and sintering on YSZ electrolytes (La0.1Sr0.9TiO3-α-Ce1-xGdxO2-α | YSZ) with different compositions and microstructure, and were electrochemically characterized using symmetrical button-cells configuration. An elementary kinetic model was developed and applied to explore the performance of LST based SOFC anode. A detailed multi‐step heterogeneous chemical and electrochemical reaction mechanism was established taking into account transport of ions in all ionic phases, and gas transport in channel and porous media. It was found that heterogeneous chemistry at LST surface has capacitive behavior that alters the impedance spectra. In addition, surface charge-transfer reaction, which describes partial oxygen ionization, caused impedance feature and is rate-limiting at high temperature. The gas transport in the supply chamber (gas conversion) is significant only at moderate temperatures.
High Energy Density Aqueous Metal Hydride-Air Batteries
Authors: Bugga Ratnakumar V , Kindler A. , Valdez Thomas I , Tan Hongjin , Weadock Nick , Fultz Brent , Uddin Jasim , Addison Dan 
Published: February 2020

Li-ion batteries exhibit poor abuse tolerance which necessitate complex charge management electronics, elaborate thermal management and adequate mechanical reinforcements, which result in reduced system-level energy densities and higher battery costs. These constraints make the aqueous systems more appealing, especially if their energy densities can be further improved. In this context, we are developing low cost and safe (aqueous) rechargeable metal-hydride / air batteries with high energy densities (200 Wh/kg and 400 Wh/l at cell level) and long cycle life for electric vehicle applications under an ARPA-E sponsored program. Our effort is focused on developing: i) new metal hydride alloys with higher hydrogen absorption capacities, ii) stable electro-catalysts for bifunctional oxygen electrode or suitable dual-electrodes for oxygen reduction/oxidation, iii) Stable hydroxyl membranes for improved cell durability and easier water management, and iv) New cathode designs with dispersed catalysts over nanostructured frameworks.
For the metal hydride anodes, the desired performance parameters include: i) High hydrogen absorption of > 1.5 w% in the gas phase with low absorption pressures (below 2 bar) and desorption temperatures (ambient), ii) High electrochemical capacity of 400 mAh/g, iii) Low corrosion rate and long cycle life (> 1000 cycles) and iv) fast electrode kinetics to operate at > C/3 rate. We initially focused on AB5 alloys, supplied by BASF (e.g., La10.5Ce4.3Pr0.5Nd1.4Ni64.3Co5.0Al6.0Mn4.6Cu3.4)1 to establish the baseline for MH-air cells. In parallel, we have started developing metal hydride alloys of V-based BCC Alloys, specifically quaternary alloys of Ti-V-Ni-Cr, which reportedly have a maximum discharge capacity of 450 mAh/g with 90% capacity retention over 30 cycles.2 For the metal hydride air cells, we have been focusing on both the options of bifunctional air cathode as well as dual-electrode configuration, i.e., with an auxiliary electrode to support the oxygen evolution reaction (OER). Our initial studies for the bifunctional air cathode are based on thin-film noble metal catalysts, dispersed on nanostructures. For the dual electrode configuration, we are examining low-cost commercial electrodes based on manganese oxide catalysts for oxygen reduction, and Ni-based electrodes for OER. In either case, we have been able to demonstrate good cycling characteristics in laboratory MH-air test cells. In addition, we performed fundamental studies on the MH anodes as well as air cathodes, using the Differential Electrochemical Mass Spectroscopy (DEMS) technique (developed at Liox with swage-lock test cells coupled with mass spectrometer), to understand the gaseous environments within a MH-air cell.

Young et al., J. of Alloys and Compounds 509 (2011) 4896.

Inoue et al., Electrochimica Acta (2012), 59, 23-31
Battery Metrics and Real-World Automotive Target Modelling
Authors: Karulkar Mohan 
Published: February 2020

Long term PHEV and EV targets, provided by USABC, highlight the need for batteries with both higher energy and higher power.[1] These mid- and long-range goals provide standardized targets for assessing future battery technology, and are developed with the vehicle in mind. Consequently, they include pack-level and cell-level targets.
Conversely, much of the work performed on early-stage technology focuses on one specific component, like the anode or cathode. Half-cell configurations are typically used with Lithium metal, and not a real-world counter electrode. Also, experiments are usually carried out in research cells (coin, Swagelok, etc) which carry high weight and volume overhead in exchange for stability and reproducibility with small electrodes. Thus, extrapolating the experimental performance of a material in a research setting to compare with a cell-level target is difficult.
To address this gap, an automotive target modelling tool has been developed and demonstrated on several candidate systems.[2] The model allows comparison of early-stage materials with real-world automotive targets from USABC, including energy density, power density, specific energy, and specific power (Figure 1). It also allows the proposal of hypothetical scenarios to identify the most promising areas of development, as well as potential showstoppers (Figure 2).
An in-depth discussion of Ford’s Carbon-Silicon composite anode research will be discussed in the context of automotive target modelling, as will several other battery systems. A discussion on metrics in general will also be presented, as well as the development of a systematic material assessment protocol and “early assessment targets.”
Figure 1: Automotive target modelling for several investigated C-Si systems, for Specific Power.
Figure 2: Using Automotive target modelling to assess hypothetical scenarios and identify cases where all targets can be met.

[1] United States Advanced Battery Consortium, USABC Goals for Advanced Batteries for EVs (2013).
[2] M. Karulkar, R. Blaser, R. Kudla, J. Power Sources, 273, 1194-1201 (2015).

Figure 1
Effect of Contaminants on the Performance of a PEMFC
Authors: Tavakoli Bahareh , Weidner John W. 
Published: February 2020

The overall cost and performance of proton exchange membrane fuel cells (PEMFCs) are an issue of tradeoffs, and the optimal design depends on the application. For example, avoiding degradation via contamination by using expensive materials increases the initial cost to produce the system, but it can extend life and improve the overall performance. This may be desirable where reliability is paramount. In contrast, using less expensive materials reduces the initial cost, but at the expense of the life-time cost of the system and reduced performance.
During this study, a systematic and collaborative investigation was conducted to understand, characterize, and quantify the degradation mechanisms due to contaminants that arise from components that make up the fuel-cell system. Initially, the key contaminants that leach out of commercial assembly-aid materials were identified and screened for their detrimental effect on fuel-cell component performance (e.g. catalyst activity, membrane conductivity). Then, model compounds were selected and in-depth parametric studies were performed. In total, four model compounds in the assembly aid materials have been selected to study the degradation mechanisms, and the impact to PEMFC performance and durability of each compound was evaluated by in-situ infusion tests and in-situ membrane resistance tests. The results from these parametric studies were then used to develop mathematical models to quantify the performance loss and recovery of the fuel cell.
(Invited) Photophysics of Hybrid Semiconductor Nanostructure in Photocatalytic Hydrogen Generation Applications
Authors: Kuno Masaru 
Published: February 2020

Semiconductor nanostructures possess a number of applications in solar energy conversion. This includes using colloidal quantum dots in solar cells and, more recently, using analogous nanostructures such as nanowires (NWs) in photocatalytic applications. Here we describe recent work to understand the photocatalytic response of solution-synthesized CdSe NWs within the context of hydrogen generation. Various CdSe NW-based systems such as core/shell structures and hybrid metal nanoparticle/semiconductor NW hybrid systems have been studied. In all cases, femtosecond transient differential absorption spectroscopy has been used to reveal relevant carrier relaxation processes in these materials as well as the flow of charges across the different heterointerfaces that are present. By correlating these transient absorption results to results from accompanying hydrogen generation efficiency measurements, we have, in turn, rationalized the response of these materials, clarifying the role that different heterojunctions play in establishing both charge separation and hydrogen generation efficiencies.
(Invited) Plasmon-Induced Artificial Photosynthesis
Authors: Misawa Hiroaki 
Published: February 2020

We have demonstrated plasmonic photocurrent generation from visible to near-infrared wavelengths without deteriorating photoelectric conversion using electrodes in which gold nanorods are elaborately arrayed on the surface of a TiO2 single crystal.1-3 We have also reported the stoichiometric evolution of oxygen via water oxidation by irradiating the plasmon-enhanced photocurrent generation system with near-infrared light.4-6 In the present study, we developed a plasmon-assisted water splitting system that operates under irradiation by visible light; the system is based on the use of two sides of the same strontium titanate (SrTiO3) single crystal substrate.7 The water splitting system contains two solution chambers to separate hydrogen (H2) and oxygen (O2), respectively. To promote water splitting, a chemical bias was applied by pH values regulations of those chambers. The quantity of H2 evolved from the surface of platinum, which was used as a reduction co-catalyst, was twice of O2 evolved from an Au nanostructured surface. Thus, the stoichiometric evolution of H2 and O2 was clearly demonstrated. The hydrogen evolution action spectrum closely corresponds to the localized surface plasmon resonance spectrum, indicating that the plasmon-assisted charge separation at the Au/SrTiO3 interface promotes water oxidation and the subsequent reduction of a proton on the backside of the SrTiO3substrate. We have elucidated furthermore that the chemical bias is dramatically reduced by plasmonic effects, which indicate the possibility of constructing an artificial photosynthesis system with low energy consumption.
According to the analogous method of the water splitting system, we have successfully constructed the artificial-photosynthesis system which produces the ammonia by a photofixation of a nitrogen molecule based on visible light irradiation.8Unlike the water splitting system, ruthenium is used as a co-catalyst instead of a platinum for the ammonia synthesis, and not a solution system but a gas system is used to reduce nitrogen gas. The action spectrum of the apparent quantum efficiency of ammonia evolution showed good agreement with the plasmon resonance spectrum. Therefore, we succeeded in photoelectrochemical synthesis of ammonia by the visible light irradiation through the plasmon-induced charge separation.

References:

Y. Nishijima, K. Ueno, Y. Yokota, K. Murakoshi, H. Misawa, J. Phys. Chem. Lett.
2010, 1, 2031-2036.

S. Gao, K. Ueno, H. Misawa, Accounts. Chem. Res., 2011, 44, 251-260.

X. Shi, K. Ueno, T. Oshikiri, H. Misawa, J. Phys. Chem. C,
2013
,
117, 24733-24739.

Y. Nishijima, K. Ueno, Y. Kotake, K. Murakoshi, H. Inoue, H. Misawa, J. Phys. Chem. Lett.,
2012, 3, 1248-1252.

X. Shi, K. Ueno, N. Takabayashi, H. Misawa, J. Phys. Chem. C,
2013, 117, 2494-2499.

K. Ueno, H. Misawa, NPG Asia Mater., 2013, 5, e61.

Y. Zhong, K. Ueno, Y. Mori, X. Shi, T. Oshikiri, K. Murakoshi, H. Inoue, H. Misawa, Angew. Chem. Int. Ed., 2014, 53, 10350-10354.

T. Oshikiri, K. Ueno, H. Misawa, Angew. Chem. Int. Ed., 2014, 53, 9802-9805.
Porphyrin Derivatives in Transistors and Nano/Micro Sized Coordination Polymers
Authors: Lee Suk Joong 
Published: February 2020

Recently, the charge-transport phenomena of organic conjugated materials have been intensively investigated because of the potential applications in electronics and optoelectronics. Among them, organic field-effect transistors (OFETs) fabricated from either thin films or well-defined single crystals (SCs) as charge-transporting layers are one of the most promising electronic devices. In particular, the unique anisotropic arrangement of organic semiconducting molecules owing to their strong intermolecular interactions is expected to have a significant influence on the OFET performance, because the larger overlap of pi-orbitals between neighboring molecules may increase the bandwidth and facilitate charge-transport. In this regards, porphyrin is one of the most important p-conjugated planar molecules and they have often been employed in OFETs, organic phototransistors (OPTs), and organic photovoltaics (OPVs). A deeper understanding of such systems has hardly been achieved because of the lack of information on the molecular packing and intermolecular arrangement (which are closely related to the OFET performance), since most porphyrin-based OFET devices are based on thin films or polycrystalline objects prepared by spin-coating or vacuum-deposition processes and showing relatively poor device performances because of the limitation in use of pi-conjugation. For a high degree of crystallinity with an excellent determinacy as well as a high corresponding device performance, the extension of pi-orbitals and the location of conjugative substituents on the porphyrin core may play major roles. Therefore, I like to present a series of new pi-extended porphyrin derivatives and their OFET devices performances along with films and single-crystals.
In addition, I like to introduce the rational synthesis of porphyrin based unique structures with a variety of morphologies obtained from the manipulation of secondary substituents (i.e., substituents that are not directly bonded to the porphyrin ring) and the introduction of various metals to engender van der Waals interactions beyond the immediate porphyrin ring and metal meditated coordination bondings. So, I like to introduce porous coordination polymer particles assembled by a simple synthetic manipulation and their applications in heterogeneous catalysis.