bluuebunny/crossref_metadata_2025_split huggingface dataset:
Keynote: Integrating Discovery, Direct and Combinatorial Science for Solar Fuels Prototype Development
Authors: Lewerenz Hans Joachim 
Published: February 2020

Photoelectrochemical water splitting has a more than four decade long history [1]. Research and development efforts, however, have been almost exclusively directed to the investigation of suited electrode materials and to the study of interfacial processes such as charge transfer and (photo)corrosion [2]. Half cell performance and characterization has predominantly been the focus [3, 4]. During this incubation period, some basic concepts have been developed [5] and thermodynamic aspects of stability and the basic processes in water oxidation and proton reduction were established [6].
The development of a technological device, comparable to that of the dye sensitized solar cell [7], was hitherto complicated by rather little coordinated research activities, pursued mostly in single investigator teams of limited size. Accordingly, some of the issues in light-induced water splitting, such as photoanode, -cathode and heterogeneous catalyst materials development, details of reaction mechanisms, successful implementation of stabilization strategies and tailored membrane design were delayed.
In this presentation, the strategy of the Joint Center for Artificial Photosynthesis in developing solar fuel prototypes in a field where a corresponding industry does not exist, where the work force has to be trained in photoelectrochemistry and the materials science for the envisaged prototype components and where design criteria for devices have to be developed, will be outlined. Examples for achievements in basic science, component integration and testbed/prototype assembly and characterization will be shown. They encompass (i) an efficient strategy to protect light absorbers against photocorrosion, which allows the use of technologically advanced semiconductors such as III-V compounds, (ii) the increased understanding of traditional and novel electrocatalysts by in operando synchrotron radiation experimentation, (iii) the use of advanced photonics for light management, (iv) combinatorial approaches for catalyst development, (v) modelling, design and realization of solar fuel reactors and (vi) feedback mechanisms for materials and system optimization.
The interaction and the training of the workforce demands advanced communication technologies and regular cross team and cross disciplinary meetings as well as educational means. An overview of the major communication and education instruments will be given.
1. A. Fujishima, K. Honda, Nature 238 (1972) 37
2. H. Gerischer, Pure and Appl. Chem. 52 (1980) 2649
3. A. Heller, R.G. Vadimsky, Phys. Rev. Lett. 46 (1981) 1153
4. H.J. Lewerenz, C. Heine, K. Skorupska, N. Szabo, T. Hannappel, T. Vo-Dinh, S. A. Campbell, H. W. Klemm and A. G. Muñoz, Energy and Environm. Sci. 3 (2010) 748
5. A. Nozik, Ann. Rev. Phys. Che. 29 (1978) 189
6. B.A. Parkinson, Acc. Chem. Res. 17 (1984) 431
7. M. Graetzel, J. Photochem. Photobiol. C: Photochemistry Reviews 4 (2003) 145
(Research Award of the Electrodeposition Division) Mathematical Modeling in Electrodeposition Studies
Authors: West Alan 
Published: February 2020

Mathematical modeling has a long history in electrodeposition. The modeling may range from current distribution simulations for the design of electrochemical cells to molecular modeling for the design of next-generation additives. In other instances, modeling is used for data analysis, for troubleshooting, and for more efficient design of experiment. In some cases, models create value by providing a framework to communicate in interdisciplinary or industrial settings, as a means of protecting intellectual property or as means of explaining to the uninitiated the role of plating-bath constituents.
While models of the impact of transport phenomena on current distribution, may be quite straightforward, models involving reaction mechanisms can be highly controversial. Because of the inherent complexity of electrodeposition processes, modeling efforts are often tightly coupled to experiments, and it is rare that a model can explain all or even most experimental observations. Crafting a model requires a deep understanding of which experimental observations are most relevant to the business or technological goals.
We discuss some of our past experience in modeling electrodeposition systems. We briefly discuss work and practical uses of modeling additives in Cu electrodeposition, a process in which a tremendous understanding is available due to its commercial importance. We then discuss multi-scale modeling of electrochemical nucleation and its impact on current distributions on resistive substrates. As a final example, we discuss the role of relatively primitive modeling in understanding the co-deposition of nanoparticles and microparticles with nickel.
Production of Hydrogen Peroxide By Oxygen Reduction in a FM01-LC Reactor for Electro-Fenton Process. Experimental Characterization and Numerical Simulation
Authors: Pérez Tzayam , Nava José Luis 
Published: February 2020

The electro-Fenton process is based on the continuous in situ electrogeneration of H2O2, which with the addition of iron catalysts produce a powerful oxidant ˙OH typically employed to incinerate persistent organic pollutants [1,2]. In this communication we studied the cathodic reduction of oxygen to produce hydrogen peroxide on tridimensional graphite felt and reticulated vitreous carbon used as cathodes under acidic conditions pH=3. The filter-press FM01-LC cell was used as a test reactor. Polarization curves in both carbonaceous electrodes revealed that hydrogen peroxide formation occurs between -0.385 and -0.585 V vs. SHE. The influence of current density and flow rate on the hydrogen peroxide formation in the FM01-LC cell was experimentally characterized. A 3D dispersion model was developed using CFD simulations employing Brinkman equations in porous mediawhich were included in the mass transport and electrode potential balance. The numerical simulation of hydrogen peroxide production in terms of current density and flow rate are in good agreement with the experimentally obtained in both electrodes.
[1] L. Zhou, Z. Hu, Ch. Zhang, Z. Bi, T. Jin, M. Zhou. Sep. Purf. Technol. 111 (2013) 131.
[2] B. R. Garza-Camposa, J. L. Guzmán-Mara, L. H. Reyesa, E. Brillas, A. Hernández-Ramíreza, E. J. Ruiz-Ruiz. Chemosphere 97 (2014) 26.
Degradation of Indigo Carmine and Reactive Black 5 Dyes with Sb2O5-Doped Ti/RuO2-ZrO2 DSA in a Parallel-Plate Flow Reactor Via Active Chlorine
Authors: Rodríguez Francisca Alicia , Rivero Eligio Pastor , González I. 
Published: February 2020

Wastewater from the textile industry is highly colored and of a complex and variable nature. The substantial amount of dyestuffs used in the dyeing stage of textile manufacturing processes represents an increasing environmental danger due to their refractory nature [1]. The treatment of textile wastewater by conventional methods such as biological and chemical processes or their combination are in common practice but have several drawbacks, e. g. inefficient color removal and/or the formation of toxic by-products [2]. On the other hand, electrochemical oxidation is a very promissory process for refractory pollutants degradation since no chemical reagents are needed and no secondary wastes are formed.
In the present study, electrochemical degradation experiments were conducted to degrade a textile dyes namely indigo carmine (IC) and reactive black 5 (RB). A FM01-LC reactor was used to investigate the effect of various operating parameters using a dimensionally stable anode (DSA, Sb2O5-doped Ti/RuO2-ZrO2). The oxidation of IC and RB takes place in the bulk solution with electrolytically generated active chlorine (chlorine, hypochlorite ion and hypochlorous acid). Figure 1 shows the normalized color decay. For the indigo carmine decolorization occurs in 80 min, whereas for the reactive black it takes 2 h. The difference in the time of decolorization is due to the structure of each dye the structure of reactive black 5 is larger than that of indigo carmine.
[1] Balcioglu I.A., Arslan I. and Sacan T. Homogenous and heterogenous advances oxidation of two commercial reactive dyes, Environment technology, 22 (2001), pp. 813-822.
[2] Rajkumar D., Joo Song B. and Guk Kim J., Electrochemical degradation of Reactive Blue 19 in chloride medium for the treatment of textile dyeing wastewater with identification of intermediate compounds, Dyes and Pigments, 72 (2007), pp. 1-7.
Physics-Based CFD Simulation of Lithium-Ion Battery Under a Real Driving Cycle
Authors: Li Genong , Li Shaoping 
Published: February 2020

Lithium-ion battery has been widely used in electric appliances due to its high energy density. It also has been used in hybrid electric vehicles (HEVs) and electric vehicles (EVs). Battery's performance, life and safety are of great engineering importance. Using the simulation tool, battery's electric performance and thermal behavior can be computed to provide useful information in battery's design and optimization.
The physics-based electrochemical model, Newman's Pseudo-2D (P2D) porous electrode model, has been widely accepted in the study of lithium-ion batteries. However, the model is built on the electrode scale. There are two challenges to apply such models in the electrochemical-thermal coupled battery simulation. The first one is how to use such electrode-scale models in the large scale simulation (battery dimension scale). The other one is how to make the physics-based model cost-efficient in a computational fluid dynamics (CFD) simulation. In this work, the multi-scale multi-dimensional approach (MSMD) [1] is used to address the first technical issue, and a linear approximation method for source terms [2] is used to address the second issue. As a result, Newman's P2D model can be used to simulate a lithium-ion battery's behavior under a real driving cycle in a three dimensional CFD simulation. In this work, a single battery cell under the FUDS driving cycle is simulated, and spatial distributions and time histories of many key variables related to the thermal and electrical behavior are presented.
References
1. G-H Kim et al, ``Multi-Domain Modeling of Lithium-Ion Batteries Encompassing Multi-Physics in Varied Length Scales," J. of Electrochem. Soc. 158 (8) A955-A969, 2011.
2. M. Guo and R.E. White, ``A Distributed Thermal Model for a Li-ion Electrode Plate Pair," J. of Power Resources, 221, pp. 334-344, 2013.
High Energy Non-Aqueous Al-S Battery
Authors: Cohn Gil , Archer Lynden A. 
Published: February 2020

Advanced high energy storage systems, beyond Li-ion technology, are highly desired to meet the demands of high performance electronic devices and future electric vehicles. Aluminum is the third most abundant element and the most abundant metal in the earth’s crust. A rechargeable battery that utilizes an aluminum-based redox couple, which involves three electron transfers during electrochemical charge/discharge reactions, is desired and attractive for research. The low cost, suitable redox potential (E0 (Al3+/Al) =-1.676 Vs. NHE), and high charge density are all factors that have fueled this interest over the years. Sulfur has likewise received great attention as a cathode for Li-S and Na-S batteries because of its high charge-storage capacity, high natural abundance, low cost and environmental friendliness.
In our study we present a new class of high energy system, a non-aqueous aluminum – sulfur battery. This battery is based on the coupling of Al metal anode and sulfur-carbon blend as the cathodic material. The system is employing electrolyte blend of AlCl3 and EMI∙Cl ionic liquid, where its composition controls its Lewis acidity. Our preliminary results show that the Al-S cell exhibits discharge voltage of around 1.2V, and a specific energy greater than 1700 Wh/kg, which exceeds most of today’s state-of-the-art batteries. Battery operation mechanism, product characteristics and limiting factors are studied using spectroscopic and electrochemical tool. This type of battery would be cheaper compare to current Li-ion and Li-S batteries, would be less prone to safety problems, and may lead to a major advance in the search for better batteries.
Oxygen Reduction and Evolution Examined Using Quartz Crystal Microbalance and Electrochemical Methods in Non-Aqueous Li-Ion Electrolytes
Authors: Lindberg Jonas , Lindbergh Göran , Behm Mårten 
Published: February 2020

The Lithium-Oxygen battery is one of the most promising battery technologies being researched, it is also one of the more challenging ones due to the various problems associated with the battery. One of these problems is the poor understanding of the reaction occurring during oxygen reduction and evolution. It is known that the intermediates of the reaction are highly reactive and take part in unwanted side reactions. It is also known that the oxygen reduction products are poorly soluble in the electrolyte.
This study sets out to further examine these effects. Qualitatively these aspects are somewhat known but quantitatively the answer is less straight forward. By combining a Quartz Crystal Microbalance with electrochemical techniques the mass, current and voltage can be measured simultaneously to help shed further light on the species solubility and occurrence of side reactions. Obtaining this information about the chemical nature of the species formed will serve as a well needed compliment to the more frequently used surface characterization methods used when trying to determine the reactions occurring at the oxygen electrode.
Charging-Discharging Phenomena on P2-Na2/3Co2/3Mn1/3O2 Observed by X-ray Absorption Spectroscopy
Authors: Hwang Bing-Joe , Cheng Ju-Hsiang , Pan Chun-Jern , Lee Jyh-Fu , Chen Jing-Ming , Guignard Marie , Delmas Claude , Carlier Dany 
Published: February 2020

Charging-discharging phenomena of P2-Na2/3Co2/3Mn1/3O2 prepared by a co-precipitation method were investigated by ex situ and in situ X-ray absorption spectroscopy [1, 2]. The electronic transitions at the O K-edge and the charge compensation mechanism, during the sodium intercalation process, were elucidated by combining Density Function Theory (DFT) calculations and X-ray absorption spectroscopy (XAS) data. The pre-edge of the oxygen K-edge moves to higher energy while the integrated intensity dramatically decreases, indicating that the population of holes in O 2p states is reduced with increasing numbers of sodium ions. From the K-edge and L-edge observations, the oxidation states of pristine Co and Mn were determined to be +III and +IV, respectively. The absorption energy shifts to lower positions during the discharging process for both the Co and Mn edges, suggesting that the redox pairs, i.e. Co3+/Co2+ and Mn4+/Mn3+, are both involved in the reaction.
[1] J.-H. Cheng, C.-J. Pan, J.-F. Lee, J.-M. Chen, M. Guignard, C. Delmas, D. Carlier, and B.-J. Hwang, Chem. Mater., 26 (2014
) 1219–1225.
[2] D. Carlier, J. H. Cheng, R. Berthelot, M. Guignard, M. Yoncheva, R. Stoyanova, B. J. Hwang and C. Delmas, Dalton Trans.,40 (
2011), 9306.
Low-Polarization Composite Cathodes Based on Nanocatalysts and Oxygen Ion Conductor for Solid Oxide Fuel Cell (SOFC) Applications
Authors: Fung Kuan-Zong , Tsai Shu-Yi , Lai Min-Hon , Ni Chung-Ta 
Published: February 2020

SOFCs have shown apparent advantages over other types of fuel cells, including relatively less expensive materials, tolerance to impurities containing in the fuel, long life and high efficiency. However, low-temperature operation also slows down the electrode kinetics and induces large interfacial polarization resistances. Moreover, the cathode polarization is the main obstacle to achieving high power densities at temperatures lower than 700°C.
An ideal cathode may be made of highly conducting ionic and electronic conductor with desired nanostructure. Thus, the objective of this work is to develop high performance composite cathode consisting of an oxygen ion conductor and metallic and/or nonmetallic catalysts with nanostrcutrures. A one-step synthesis method is developed to form colloidal Ag nanocatalysts by reducing silver ions with sodium borohydride (NaBH4) using adequate capping and stabilizing agents. As a result, a composite cathode made of Bi2O3-based ionic conductor and well-dispersed Ag nanocatalysts is obtained at the temperature as high as 600 °C. The commonly used composite cathode, LSM-YSZ, is also investigated for comparison. The crystal structure, microstructure, and electrical/electrochemical properties of the developed composite cathode are investigated using XRD, FESEM, TEM, and impedance spectroscopy.
A New Family of Proton-Conducting Conducting Materials in Layered Oxides
Authors: Tao Shanwen , Lan Rong 
Published: February 2020

To identify a good ionic conducting material for use as electrolyte for intermediate temperature solid oxide fuel cells (IT-SOFCs) remains a big challenge. In this report, we demonstrate that good proton conductor can be obtained in transition element rich intercalation materials such as LixAl0.5Co0.5O2. OCV of 1.0 ~ 1.1V was observed for a H2/air fuel cell at temperature 475 – 575 °C indicating it is nearly a pure ionic conductor under fuel cell operating conditions. A power density of 173 mW cm-2 has been achieved at 525 °C with a thick electrolyte (0.79 mm thick) when silver was used as both cathode and anode. The ionic conductivity of LiAl0.5Co0.5O2 was 0.1 S/cm at 500 °C, deduced from the series resistance of the H2/air fuel cell. This is the highest among known poly-crystalline proton-conducting materials. This study will provide a new approach to discover new proton conducting materials for use in IT-SOFCs. It is expected that an ideal proton-conducting oxide may be identified in layered oxides.
References:
[1] H. Iwahara, T. Esaka, H. Uchida, N. Maeda, Solid State Ionics 1981, 3-4, 359.
[2] T. Norby, Solid State Ionics 1999, 125, 1.
[3] K. D. Kreuer, Annual Review of Materials Research 2003, 33, 333.
[4] D. Pergolesi, E. Fabbri, A. D'Epifanio, E. Di Bartolomeo, A. Tebano, S. Sanna, S. Licoccia, G. Balestrino, E. Traversa, Nature Materials 2010, 9, 846.
[5] R. Lan and S.W. Tao, Advanced Energy Materials, 2014, DOI: 10.1002/aenm.201301683.
Electrode/Electrolyte Interphase Studies of Ceria Based Electrolytes for IT-SOFCs
Authors: Baqué Laura Cecilia , Padmasree Karinjilottu , Fuentes Antonio F. , Serquis Adriana , Soldati Analía 
Published: February 2020

Solid oxide fuel cells (SOFCs) have emerged as an efficient and environmental friendly tecnology to convert directly hydrogen and fosil fuels into electric energy. Usually these devices use ytria based electrolytes, requiring operation temperatures around 1000ºC. These high temperatures challenge the long term stability and induce rapid degradation of the cell. Ceria based oxides are interesting alternatives because they present higher conductivities at lower operation temperatures. However, these materials require sinterization temperatures in the 1300-1600ºC range to achieve complete densification, which produces very large grain sizes and poor mechanical properties. The addition of transition metals oxides is effective in improving the densification and thus, lowering the sinterization temperatures. In this work we studied Ce0.8(Gd,Nd)0.2O2 with and without Co doping synthesized by a molten salt route [1], which allows obtaining smaller grain sizes at lower temperatures, improving microstructural properties. The synthesis methodology is fast, simple and cheap and combines a metathesis or displacement reaction and a low-temperature molten salt flux.
A (La,Sr)(Co,Fe)O3 nanostructured electrode with high electrochemical performance [2,3] was deposited by spin coating techniques on electrolyte pellets. The assemblies were studied by Electrochemical Impedance Spectroscopy, X-Ray Diffraction and Transmission and Scanning Electron Microscopy. The correlation between the electrochemical behavior within the 300-600ºC range, and the bulk and interfacial characteristics will be discussed.
[1] Mendoza-Mendoza E., Padmasree K., Montemayor S. and Fuentes A., J Mater Sci 47 (2012) 6076-6085.
[2] Baqué L, Caneiro A, Moreno MS, Serquis A., Electrochem Commun 10 (2008) 1905-1908.
[3] Soldati A., Baqué L., Troiani H., Cotaro C., Schreiber A., Caneiro A, Serquis A. Int J Hyd Energy 36 ( 2011) 9180-9188.
Ceria Based Composite Membranes for Oxygen Separation
Authors: Gurauskis Jonas , Ovtar Simona , Kaiser Andreas , Søgaard Martin , Hendriksen Peter Vang 
Published: February 2020

Mixed ionic-electronic conducting membranes for oxygen gas separation are attracting a lot of interest due to their promising potential for the pure oxygen and the syngas production. Apart from the need for a sufficiently high oxygen permeation fluxes, the prolonged stability of these membranes under the large oxygen potential gradients at elevated temperatures is decisive for the future applications.
The gadolinium doped cerium oxide (CGO) based composite membranes are considered as promising candidates due to inherent stability of CGO phase. The CGO matrix is a main oxygen ion transporter; meanwhile the primary role of a secondary phase in this membrane is to compensate the low electronic conductivity of matrix at intended functioning conditions.
In this work thin film (15-20 μm) composite membranes based on CGO matrix and LSF electronic conducting phase were fabricated and evaluated. Composite thin film was deposited on tubular structural support made of porous MgO phase. Porous CGO layers (20 μm) were implemented as backbones for catalytic phase on both sides of a composite membrane (Fig. 1).
During initial trials, the catalytic phase free CGO/LSF composite membranes demonstrated oxygen fluxes close to 1 ml×min×cm-2 at 900 °C and the oxygen driving force of log pO2=-2.
Issues related to processing parameters and new results on performance of these asymmetric geometry CGO/LSF composite membranes will be presented.
Figure 1. Cross-section of asymmetric CGO-LSF composite membrane.
Performance Comparison between Ni–SDC and Ni–YSZ Cermet Electrodes for Carbon Dioxide Electrolysis on Solid Oxide Electrolysis Cell
Authors: Singh Vandana , Muroyama Hiroki , Matsui Toshiaki , Eguchi Koichi 
Published: February 2020

Solid oxide electrolysis cells (SOECs) have already proven their ability to electrolyze steam (H2O). Recently, the attention has been drawn towards the electrolysis of carbon dioxide (CO2). In this paper, the electrochemical reduction of CO2 over Ni–Ce0.8Sm0.2O1.9 (SDC) and Ni–8 mol% Y2O3–ZrO2(YSZ) electrodes was studied on SOEC device.
Cells used in this work consist of Ni–SDC or Ni–YSZ cermet electrodes, YSZ electrolyte, and (La0.8Sr0.2)0.97MnO3 (LSM) electrode. Electrochemical properties of SOEC were evaluated by impedance spectroscopy and current–voltage (I–V) curves with a supply of CO2/H2 and pure O2 gases to the cathode and anode sides, respectively, at 1000 oC.
The results of preliminary experiments indicated that in CO2/H2 mixture, CO2 reduction proceeds indirectly via kinetically fast reverse water-gas shift reaction (RWGSR, CO2 + H2 ⇌ CO + H2O). The impact of cathode material on CO2 reduction was studied as depicted in Fig. 1 (a) and (b), which shows I–V curves of single button cells employing Ni–SDC and Ni–YSZ electrodes, respectively. The cell with Ni–SDC electrode exhibited relatively high current density compared with Ni–YSZ electrode. The better performance of Ni–SDC electrode depends on the conductivity of doped ceria; it exhibits higher ionic conductivity than YSZ and shows electronic conductivity under a reducing atmosphere. These two factors are most likely extended the effective triple phase boundary (TPB) region and improved the electrochemical reactions at electrode/electrolyte interface.