bluuebunny/crossref_metadata_2025_split huggingface dataset:
(Invited) A Highly Efficient and Tumor Vascular-Targetingtherapeutic Technique with Size-Expansiblegadofullerene Nanocrystals
Authors: Wang Chunru 
Published: February 2020

It has long been a dream to achieve tumor targeting therapy
that can efficiently reduce the toxicity and severe side effects of
conventional antitumor chemotherapeutic agents. Taking advantage
of the abnormalities of tumor vasculature, we demonstrate
here a new powerful tumor vascular-targeting therapeutic
technique for solid cancers that applies advanced nanotechnology
to cut off the nutrient supply of tumor cells by physically
destroying the abnormal tumor blood vessels. Water soluble
magnetic Gd@C82 nanocrystals of the chosen sizes are deliberately
designed with abilities to penetrate into the leaky tumor
blood vessels. By triggering the radiofrequency induced phase
transition of gadofullerene nanocrystals while extravasating the
tumor blood vessel, the explosive structural change of nanoparticles
generates a devastating impact on abnormal tumor blood
vessels, resulting in a rapid and extensive ischemia necrosis and
shrinkage of the tumors. This unprecedented target-specific
physiotherapy is found to work perfectly for advanced and refractory
solid tumors.
(Invited) Unprecedented Aromatic Ring Scissoring Observed in the Reaction of Sc3n@Ih
-C80 with Aryl Azides
Authors: Wang Guan-Wu 
Published: February 2020

A number of reactions of endohedral metallofullerenes (EMFs) have been reported in the literature. Recently, we investigated the reaction of aryl azides with Sc3N@Ih
-C80. It was found that isomeric [5,6]- and [6,6]-azafulleroids can be obtained from the thermal reaction of Sc3N@Ih
-C80 with 4-isopropoxyphenyl azide, while photoirradiation leads exclusively to the [6,6]-azafulleroid.[1] Surprisingly, when the thermal reaction was conducted at a lower temperature and under the aerobic conditions, an EMF isoxazoline derivativehaving a hexa-2,4-dienal moiety was obtained. This unprecedented reaction involved the aromatic ring scissoring and participation of O2. The same phenomena were applied to the reaction of Sc3N@Ih
-C80 with other electro-rich aryl azides.
References
1. Liu, T.-X.; Tao, W.; Zhu, S.-E; Wang, G.-W.; Jiao, M.; Yang, S.; Bowles, F. L.; Olmstead, M. M.; Balch, A. L. J. Am. Chem. Soc.
2012, 134, 11956-11959.
(Invited) Entrapping a Group-VB Transition Metal, Vanadium, within an Endohedral Metallofullerene
Authors: Yang Shangfeng 
Published: February 2020

So far the entrapped metals for the isolated endohedral metallofullerenes (EMFs) are primarily limited to rare earth metals, whereas except group-IVB metals whether or not it is possible to entrap other d-block transition metals remains unclear. In this talk, we report the successful entrapment of the group-VB transition metal vanadium (V) into fullerene cage, affording the heretofore unknown V-containing EMFs. Two novel V-containing EMFs — VxSc3-xN@C80 (x=1, 2) — were isolated, and their molecular structures were unambiguously determined by X-ray crystallography to be Ih
(7)-C80 cage entrapping the planar VSc2N/V2ScN clusters. VxSc3-xN@Ih
(7)-C80 (x=1, 2) were further characterized by UV-vis-NIR and ESR spectroscopies and electrochemistry, revealing that the electronic and magnetic properties of VxSc3-xN@Ih
(7)-C80 (x=1, 2) are tunable upon varying the number of entrapped V atoms (i.e., x value). The molecular structures and electronic properties of VxSc3-xN@Ih
(7)-C80 (x=1, 2) were further compared with those of the reported analogous EMFs based on lanthanide metals and the adjacent group-IVB transition metal Ti, revealing the peculiarity of the group-VB transition metal V-based EMFs.
Numerical Modeling of Lithium Ion Battery Capacity Fading on Electric Vehicles
Authors: Yuan Chris 
Published: February 2020

Electric vehicles are recognized as clean alternative to conventional vehicles and promoted globally for large fleet deployment. As predicted, the EV global fleet number will reach 2.6 million by 2016 and 230 million by 2030. Current EVs are all powered by lithium ion batteries due to its higher energy density and power density. There are two types of EVs on current market: Plug-in Hybrid EV, represented by Chevrolet Volt, and battery EV, represented by Nissan Leaf. The lithium ion batteries used on both Nissan Leaf and Chevrolet Volt are with the same chemistry: graphite anode and lithium manganese oxides (LMO) cathode. However, current EV lithium ion batteries have severe capacity fading issue which limits the market penetrations of EVs. For example, the Nissan Leaf battery pack, with 24 kWh capacity, can power the vehicle for 84 miles/charge and the battery performance is warranted for 5 years or 60,000 miles only.
In this research, we report our numerical modeling approach for predictive modeling of battery capacity fading on electric vehicle operations for both cycling capacity loss and calendar capacity loss. The capacity fading of a typical 24 kWh LMO-Graphite lithium ion battery during actual EV operations are mathematically modeled under state-level average driving conditions in the United States, considering the EV travel demand, driving range, hourly temperature, and driving pattern. The calculated annual cycling capacity losses are between 0.5% and 1.2% in first year, and slightly going up in following years. The calculated annual calendar capacity losses are between 4% and 8.9% in first year, and falling down quickly in following years. The results are validated by actually reported Nissan Leaf capacity fading data in several representative states of U.S.
Natural Polymer Derived Carbon Microsphere Anode for Alkali-Ion Batteries
Authors: Chen Chaoji , Huang Yunhui , Xie Jia 
Published: February 2020

Rechargeable batteries are one of the most emerging energy storage techniques for the integration of renewable energy sources like solar energy and wind power. As the key members of rechargeable batteries, alkali-ion batteries have been investigated broadly due to their high safety, high energy density and environmental friendliness. Among them, lithium ion batteries (LIBs) represent one of the most mature and commercial technology in this field, however, the insufficiency of lithium resource and the growing cost become challenges to industry for large-scale energy storage applications. Recently, Na-ion batteries (NIBs) and K-ion batteries (KIBs) have been regarded as two of the most promising alternatives to LIBs, especially for large-scale energy storage, due to the abundant resource and low cost of sodium and potassium precursors. It is believed that the electrode materials are the key components in realizing high-performance batteries. For large-scale energy storage applications, electrode materials with low cost, high energy density and long cycling life are highly desired but also challenging.
Here we introduce a low-cost and high-performance carbon microsphere (CM) anode derived from natural polymer for high-capacity and long-life alkali-ion batteries. The CM electrode as anode for NIBs delivers a high capacity of ~250 mAh g-1 at 30 mA g-1 and long cycling life of more than 8000 cycles without obvious decay. More appealingly, as anode for KIBs, the CM electrode demonstrates a higher capacity of ~300 mAh g-1 at 30 mA g-1, superior rate capability of over 150 mAh g-1 at an extreme current rate of 20 A g-1 and long cycling life of more than 2000 cycles. The carbon microsphere electrode demonstrated here is highly promising for large-scale energy storage applications.
Advanced Na Batteries Using β″-Alumina Solid-State Electrolytes
Authors: Li Guosheng , Chang Hee Jung , Lu Xiaochuan , Sprenkle Vincent 
Published: February 2020

Developing advanced and reliable electrical Energy Storage Systems (ESS) is critical to stimulate the growth of renewable electricity generation from wind and solar power resources and improve the reliability of the electric power grid. Lithium (Li)-based batteries have dominated the current rechargeable battery markets for portable electronics and now expanded to ESS. However, the present Li battery industry has encountered critical problems, such as high cost, safety concerns, and limited resources, which are obstacles to fulfilling the increasing demand for ESS application. In the last few years, high-temperature Na batteries (HT-Na batteries), such as Na-S and Na-NiCl2 batteries, have been considered attractive candidates for next-generation ESS owing to naturally abundant Na resources (1000 times greater than Li) and a suitable redox potential of Na metal (-2.7 V for Na vs. -3.0 V for Li). However, the application of HT Na batteries for ESS use has not yet been widely accepted by earlier markets up to date. This is because of (1) high operating temperatures (280°C for Na-NiCl2 and 350°C for Na-S battery), (2) safety concerns associated with catastrophic cell failure in the conventional HT Na-S cell, (3) high manufacturing costs of solid-state electrolytes and battery packs, (4) limitation on cell design, etc.
Over the years, we have been actively developing new technologies to improve the battery performance, reliability and cost effective cell designs for NBBs. In here, we report an advanced intermediate temperature (IT) NBBs, which is operated at a temperature much lower than that of conventional HT-NBBs. Our results indicate that lowering operating temperature could obtain substantial benefits by slowing down the battery degradation, reducing the cost of cathode materials and manufacturing process. Hence, IT-NBBs presented in here could bring new paradigms to Na β″-alumina batteries for its practical applications in ESS.
Battery Degradation and Cost Analysis of a Lithium Ion Battery System for a 1 MW Green Energy Hub (GEH)
Authors: Morris Larry , Weatherspoon Mark H 
Published: February 2020

Studying higher renewable energy penetrations during the electricity generation phase, the Future Renewable Electric Energy Delivery and Management (FREEDM) Systems Center has focused on supporting the battery degradation and cost analysis portion of a commercial 1 MW green energy hub (GEH). Cost analysis and battery degradation modeling will be used as part of a coupled approach and consist of the following software applications: NREL's System Advisor Model (SAM) - for identification of load requirement and summarization of PV productions; COMSOL Multiphysics - for determination of efficient electrochemical battery energy storage system (BESS); and MATLAB – for the implementation of state of charge (SOC), state of health (SOH), and peak shaving algorithms. The GEH will provide for various grid services using 20% renewable energy penetration and a Lithium ion based (Li-ion) BESS. Preliminary results using a LiFePO4 based BESS are presented below.

Technical Approach with Preliminary Results

The LiFePO4 battery was cycled to determine SOC and SOH using the Versastat 4 Potentiostat with the measured data being used as a baseline for the development of the COMSOL model.

SAM

The System Advisor Model (SAM) is a model developed by the U.S. Department of Energy and National Renewable Energy Laboratory to analyze sustainable energy systems. The SAM was used to determine the photovoltaic footprint capable of supporting 20% penetration.
Fig 1.

COMSOL

COMSOL Multiphysics is a general-purpose software platform, based on advanced numerical methods, for modeling and simulating physics-based problems. COMSOL was used to model battery degradation and the affect of multiple cycling characteristics in a LiFePO4 cell.
Fig 2.

MATLAB

MATLAB is matrix-based software that uses programming language for numerical computation. MATLAB was used for computation and data analysis of the peak shaving algorithm.
Fig 3.

Acknowledgement

This work was supported by the FREEDM ERC program of the National Science Foundation under award number EEC-08212121.

References

Dubarry, Matthieu, Liaw, Bor Y. (2009). Identify capacity fading mechanism in a commercial LiFePO4 cell Journal of Power Sources Vol 194, pg 541-549.

Kim, Jae-Hun, Woo, Sang C., Park, Min-Sik, Kim, Ki J., Yim, Taeeun, Kim, Jeom-Soo, Kim, Young-Jun. (2013). Capacity Fading Mechanism of LiFePO4 Based Lithium Secondary Batteries for Stationary Energy Storage, Journal of Power Sources Vol 229, pg 190-197.

Yang, Ye, Li, Hui, Aichhorn, Andreas, Zheng, Jianping, Greenleaf, Michael. (2014). Sizing Strategy of Distributed Battery Storage System With High Penetration of Photovoltaic for Voltage Regulation and Peak Load Shaving. IEEE Transaction on Smart Grid, Vol 5, No2, pg 982 – 991.

Figure 1
A New Process to Synthesize the Rh2S3 Precursor for RhxSy Catalyst for HER/HOR in HBr Solution
Authors: Li Yuanchao , Nguyen Trung Van 
Published: February 2020

With the development of distributed renewable energy resources such as wind and solar power, there has been growing interest in electrical energy storage. The hydrogen-bromine (H2-Br2) reversible fuel cell system serves as one of the promising technologies because of its high round-trip conversion efficiency and low cost. For the highly corrosive HBr/Br2 environment, alternative catalysts to platinum, which was shown to be rapidly corroded and poisoned in this environment, is needed for the HER/HOR reactions at the hydrogen electrode. RhxSy catalysts have been found to be stable in the HBr/Br2 environment.1,2 In the current synthesis process, the source of sulfur ions in RhxSy is provided by (NH4)2S2O3.
3 In the new process, the use of Na2S as a source of sulfur ions was explored. This presentation will discuss the new synthesis process of RhxSy catalyst and the characteristics and performance of this catalyst.

References

1. J. Masud, T. Van Nguyen, N. Singh, E. McFarland, M. Ikenberry, K. Hohn, C. J. Pan and B. J. Hwang,, Journal of the Electrochemical Society, 162, F455–F462 (2015).
2. A. Ivanovskaya, N. Singh, R.-F. Liu, H. Kreutzer, J. Baltrusaitis, T. Van Nguyen, H. Metiu and E. McFarland,, Langmuir, 29, 480–492 (2013).
3. A. F. Gulla and R. J. Allen, Carbon supported metal sulphide catalyst for electrochemical oxygen reduction, Google Patents, (2008).

Acknowledgement

The work presented herein was funded by the National Science Foundation under Grant No. EFRI-1038234.
Copper Bromide Chemistry Analysis for Use in Large Scale Energy Storage and Beyond
Authors: Stricker Elizabeth A. , Wainright Jesse S. , Savinell Robert F. 
Published: February 2020

Copper redox flow batteries have been recently studied in a high halide environment [1, 2]. The halide chemistry allows for the stabilization of the copper I oxidation state and the complexation also prevents the disproportionation reaction from taking place [3]. Historically, the copper halide chemistry has been used for electrowinning. Although the chemistry has been used for many years, little has been done to characterize the diffusion of bromide ion in the presence of high concentrations of bromide, the diffusion of the copper bromide complexes, and the kinetic parameters of electrodeposition from the copper I bromide complex. We have conducted charge and discharge experiments on the copper redox flow battery in a bromide electrolyte. It was observed that the battery is able to charge at higher current densities than it can discharge. During charging experiments, the battery was able to achieve a geometric current density over 200mA/cm2. However, during discharging experiments the battery was not able to achieve 125mA/cm2as shown in Figure 1. This is most likely due to an intermediate insoluble complex formed during discharge that passivates the surface. In this study, bromide ion diffusion, copper I diffusion, and copper I kinetics have been explored. A preliminary model, based on these precepts, has been developed and the applicability of these results to redox flow batteries and other systems are discussed.
[1] L. Sanz, D. Lloyd, E. Magdalena, J. Palma, K. Kontturi, Journal of Power Sources, 268 (2014) 121-128.
[2] D. Lloyd, E. Magdalena, L. Sanz, L. Murtomäki, K. Kontturi, Journal of Power Sources, 292 (2015) 87-94.
[3] H. Zhao, J. Chang, A. Boika, A.J. Bard, Analytical Chemistry, 85 (2013) 7696-7703.

Figure 1
Understanding Speciation in Ionic-Liquid Electrolytes for Non-Aqueous Redox Flow Batteries
Authors: Miller Mallory A. , Gaudet Jason , Thompson Levi T , Wainright Jesse S. , Savinell Robert F. 
Published: February 2020

Conventional aqueous redox flow batteries (RFB) are limited by low energy and power densities; thus, recent focus has been on development of non-aqueous electrolytes. Although organic solvents allow for increased voltage windows, they possess a several drawbacks, including sensitivity to moisture, low solubility of active species, and high flammabilities and toxicities. Ionic liquids (IL) offer a “greener” alternative to volatile organic electrolytes as they are non-toxic and nonflammable [1, 2].
Iron chloride based IL electrolytes containing up to 6.3 M iron have been synthesized. It was found that electrolyte conductivity and viscosity, as well as the nature of the electroplated iron, are greatly influenced by electrolyte composition. An electrolyte containing iron chloride, choline chloride, and ethylene glycol in a 1:1:4 molar ratio was attractive due to its high plating efficiencies, fast kinetics, and acceptable conductivity [3]. Electrochemical reactivity of the solute ions as well as the physical properties of the electrolyte are controlled by speciation of the metals in solution. To understand what ions are responsible for the observed properties in these iron IL electrolytes, chemical speciation was investigated using x-ray absorption spectroscopy (XAS) as well as x-ray photoelectron spectroscopy (XPS). The two techniques indicate the presence of organometallic compounds which may hinder the electrokinetics as well as the fluid properties. For example, the conductivity is a function of the mole fraction of iron as well as the iron to chloride ratio (Fig 1 below). Complexes such as [FeCl4]-have been shown to exhibit enhanced fluid properties [4], however, when the iron:chloride ratio is less than 1:4, di-iron species have been known to form [5]. The properties of these iron IL electrolytes as a function of composition coupled with results from XAS and XPS to explain observed trends will be presented.
[1] M. J. Earle and R. K. Seddon, Pure Appl. Chem., vol. 72, p. 1391, 2000.
[2] K. N. Marsh, A. Deev, A. C.-T. Wu, T. E., and A. Klamt, Korean J Chem. Eng. , vol. 19, 2002.
[3] J. S. W. M. A. Miller, and R. F. Savinell, "Iron Ionic Liquid Electrolytes for Redox Flow Battery Applications," Journal of The Electrochemical Society, vol. 163, pp. A578-A579, 2016.
[4] I. M. H. C. A. Angell, P. A. Cheeseman, "Physico-chemical and computer simulation studies of the role of cation coordination numbers on melt physical properties," Electrochemical Society Proceedings, p. 138, 1976.
[5] M. S. Sitze, E. R. Schreiter, E. V. Patterson, and R. G. Freeman, "Ionic Liquids Based on FeCl3 and FeCl2. Raman Scattering and ab Initio Calculations," vol. - 40, pp. - 2304, 2001.

Figure 1
Understanding Hydrogen Peroxide Decomposition Activity of Transition Metal Oxide Catalysts in Oxygen Reduction Reaction
Authors: Trinh Phong , Malkhandi Souradip , Manohar Aswin K , Manivannan A. , Prakash G. K. Surya , Narayanan S. R. 
Published: February 2020

Energy storage is essential for large-scale integration of renewable energy such as solar and wind into the electricity grid. Fuel cells and metal-air batteries are promising technologies for grid-scale energy storage owing to their high energy densities and environmental friendliness. However, it is well known that the slow kinetics of the oxygen reduction reaction (ORR) at the cathode limits the efficiency of these fuel cells and metal-air batteries. Among transition metal oxides, calcium-doped lanthanum cobalt oxide is one of the promising catalysts for ORR because of the ability of these materials to support both oxygen evolution and oxygen reduction reactions [1]. In previous work, we demonstrated that in transition metal oxide–carbon composites catalysts, carbon is the primary electrocatalyst for the two electron electro-reduction of oxygen to hydrogen peroxide and the transition metal oxide decomposes the hydroperoxide to generate additional oxygen [2]. Therefore, we have focused on understanding the role of mixed metal oxides on decomposition of hydrogen peroxide for designing more active carbon-based catalyst systems. Specifically, we have studied the effect of manganese substitution of cobalt in calcium-doped lanthanum cobalt oxide on the hydrogen decomposition rate of the catalysts.
Manganese-substituted compounds of the formula La0.6Ca0.4Co1-xMnxO3 compound with x value = 0.0, 0.1, 0.3, 0.5, 0.7, 0.9 and 1 were synthesized by the sol-gel method using the Pechini process. As previously described [3], a two-step heat treatment was employed for the synthesis of these compounds. In the first step the material subjected to controlled combustion at 120-170 oC, then the material was collected, ground and heat-treated in a second step sintering process at 700oC for 2 hours.
The decomposition characteristics of hydrogen peroxide on various transition metal oxides was measured by oxygen reduction studies on rotating-ring-disk (coated glassy carbon) electrode, and by steady state polarization studies of the oxidation and reduction of hydrogen peroxide.
We have demonstrated that the mixed potential of the oxide electrode under open circuit conditions could be predicted from the kinetics of the conjugate reactions of peroxide oxidation and reduction. We also find that the higher rate of oxidation of hydroperoxide correlated directly with the improved oxygen reduction activity in the composite catalyst. The presentation will discuss these findings.

Figure 1
Nanostructured Organic Positive Electrodes for Sustainable Energy Storage
Authors: Liu Tianyuan , Lee Byeongyong , Lee Seung Woo 
Published: February 2020

Lithium-ion battery has become the major power source for various applications owing to its high efficiency, high energy density, and small form factor. Despite these advantages, the high cost of electrode materials, including transition metal oxides, limits their penetration for large-scale applications, such as electrical grid and renewable energy storage. Therefore, developing low-cost, sustainable, and high-performance electrode materials could be the critical enabling factor. Recently, organic electrode materials, which can be prepared from earth-abundant and sustainable sources, have attracted intensive attention due to their high energy density per cost.
We also have reported on the nanostructured carbon based electrodes that were assembled from organic molecules, such as pyrene derivatives1 or glucose.2 In this study, we further investigate the redox-active properties of these organic molecules with lithium ions, enabling those materials to be the active electrode components for lithium-ion batteries or capacitors. We show that these organic electrodes can deliver high specific capacities over 150 mAh/g with high redox potentials over 3 V vs. Li/Li+, proposing to be the promising positive electrodes for both lithium-ion batteries and capacitors. In addition, these nanostructured organic electrodes can significantly improve their rate-performance and cycling stability by employing the conductive carbon substrates, such as carbon nanotubes or reduced graphene oxides. These high-performance organic electrodes provide a new opportunity to developing low-cost and sustainable large-scale energy storage devices.
References
1. J. C. Bachman, R. Kavian, D. J. Graham, D. Y. Kim, S. Noda, D. G. Nocera, Y. Shao-Horn and S. W. Lee, Nature Communications, 6:7040 (2015).
2. T. Y. Liu, R. Kavian, Z. M. Chen, S. S. Cruz, S. Noda and S. W. Lee, Nanoscale, 8, 3671 (2016).