bluuebunny/crossref_metadata_2025_split huggingface dataset:
Review on Challenges and Recent Advances in the Electrochemical Performance of High Capacity Li‐ and Mn‐Rich Cathode Materials for Li‐Ion Batteries
Authors: Nayak Prasant Kumar , Erickson Evan M. , Schipper Florian , Penki Tirupathi Rao , Munichandraiah Nookala , Adelhelm Philipp , Sclar Hadar , Amalraj Francis , Markovsky Boris , Aurbach Doron 
Published: December 2017

AbstractLi and Mn‐rich layered oxides, xLi2MnO3·(1–x)LiMO2 (M=Ni, Mn, Co), are promising cathode materials for Li‐ion batteries because of their high specific capacity that can exceed 250 mA h g−1. However, these materials suffer from high 1st cycle irreversible capacity, gradual capacity fading, low rate capability, a substantial charge‐discharge voltage hysteresis, and a large average discharge voltage decay during cycling. The latter detrimental phenomenon is ascribed to irreversible structural transformations upon cycling of these cathodes related to potentials ≥4.5 V required for their charging. Transition metal inactivation along with impedance increase and partial layered‐to‐spinel transformation during cycling are possible reasons for the detrimental voltage fade. Doping of Li, Mn‐rich materials by Na, Mg, Al, Fe, Co, Ru, etc. is useful for stabilizing capacity and mitigating the discharge‐voltage decay of xLi2MnO3·(1–x)LiMO2 electrodes. Surface modifications by thin coatings of Al2O3, V2O5, AlF3, AlPO4, etc. or by gas treatment (for instance, by NH3) can also enhance voltage and capacity stability during cycling. This paper describes the recent literature results and ongoing efforts from our groups to improve the performance of Li, Mn‐rich materials. Focus is also on preparation of cobalt‐free cathodes, which are integrated layered‐spinel materials with high reversible capacity and stable performance.
Comparing competitive toughness to benchmark outcomes in retail oligopoly pricing
Authors: Sakamoto Ryo , Stiegert Kyle 
Published: December 2017

AbstractPast research on pricing in imperfectly competitive markets conventionally assumes that competition operates through a specific quantity or a price game. However, most markets do not function in a manner consistent with a single static benchmark. Methods to overcome this problem have largely been rejected by the research community (i.e., conjectural variations). The primary objective of our research is to introduce a new methodology for measuring imperfect competition under product differentiation in consumer goods. We develop the empirical procedures for estimating a competitive toughness model as proposed by d'Aspremont, Dos Santos Ferreira, and Gérard‐Varet. This approach presents a theoretically grounded procedure that measures market power in an empirically tractable framework. We estimate the proposed model on the retail market for ground coffee. Our results suggest that market power is understated in a model that imposes the restriction of Bertrand pricing. The results suggest that this could be a promising approach for use in many applications. [EconLit citations: D43, L13, K21]
Solventless and Metal‐Free Synthesis of High‐Molecular‐Mass Polyaminoboranes from Diisopropylaminoborane and Primary Amines
Authors: De Albuquerque Pinheiro Carlos Antonio , Roiland Claire , Jehan Philippe , Alcaraz Gilles 
Published: December 2017

AbstractThe solventless reaction of diisopropylaminoborane with n‐butylamine, at room temperature, leads to a mixture of B(sp2)H‐, B(sp3)H2‐, and B(sp3)H3‐containing species. At low temperature, the reaction outcome is completely modified, thus leading selectively to the formation of high‐mass polybutylaminoborane. When extended to a variety of primary amines, under solventless conditions and at low temperature, this reaction provides a new, efficient, and direct metal‐free access to high‐molecular‐mass polyaminoboranes in good to high yields under mild reaction conditions.
Organocatalytic Enantioselective Higher‐Order Cycloadditions of In Situ Generated Amino Isobenzofulvenes
Authors: Donslund Bjarke S. , Monleón Alicia , Palazzo Teresa A. , Christensen Mette Louise , Dahlgaard Anne , Erickson Jeremy D. , Jørgensen Karl Anker 
Published: December 2017

AbstractThe [8+2] cycloaddition of indene‐2‐carbaldehydes and nitro olefins is described to provide benzonorbornene scaffolds in a highly peri‐, diastereo‐, and enantioselective fashion in the presence of a C2‐symmetric aminocatalyst. This reaction, which proceeds through a transient semi‐aromatic amino isobenzofulvene, represents the first example of catalytic formation and transformation of these species. Quantum chemical calculations suggest a kinetically controlled stepwise mechanism where the stereochemistry is determined in the first bond‐forming event. Beyond the useful [8+2] cycloadducts, [10+4] cycloadducts have been identified in silico as potential off‐pathway intermediates.
Hydrophilicity and Microsolvation of an Organic Molecule Resolved on the Sub‐molecular Level by Scanning Tunneling Microscopy
Authors: Lucht Karsten , Loose Dirk , Ruschmeier Maximilian , Strotkötter Valerie , Dyker Gerald , Morgenstern Karina 
Published: December 2017

AbstractLow‐temperature scanning tunneling microscopy was used to follow the formation of a solvation shell around an adsorbed functionalized azo dye from the attachment of the first water molecule to a fully solvated molecule. Specific functional groups bind initially one water molecule each, which act as anchor points for additional water molecules. Further water attachment occurs in areas close to these functional groups even when the functional groups themselves are already saturated. In contrast, water molecules surround the hydrophobic parts of the molecule only when the two‐dimensional solvation shell closes around them. This study thus traces hydrophilic and hydrophobic properties of an organic molecule down to a sub‐molecular length scale.
Total Synthesis of Maoecrystal P: Application of a Strained Bicyclic Synthon
Authors: Su Fan , Lu Yandong , Kong Lingran , Liu Jingjing , Luo Tuoping 
Published: December 2017

AbstractA new strategy was devised for the total synthesis of highly oxidized ent‐kauranoids. A highly regio‐ and diastereoselective intermolecular Diels–Alder cycloaddition involving a diene embedded in a substituted bicyclo[4.1.0] skeleton was used to assemble all carbon centers but C17 of the target molecule at an early stage of the synthesis. Subsequent synthetic steps, including redox manipulations, SmI2‐mediated cyclization, and isomerization reactions, afforded the antitumor natural product maoecrystal P.
Manganese(I)‐Catalyzed C−H (2‐Indolyl)methylation: Expedient Access to Diheteroarylmethanes
Authors: Lu Qingquan , Cembellín Sara , Greßies Steffen , Singha Santanu , Daniliuc Constantin G. , Glorius Frank 
Published: December 2017

AbstractAn unprecedented MnI‐catalyzed (2‐indolyl)methylation of heteroarenes is reported. This method makes use of an aromatizing cascade strategy to install a (2‐indolyl)methyl group into target molecules, thereby leading to the expedient synthesis of previously challenging and important unsymmetrical diheteroarylmethanes, in particular bis(2‐indolyl)methanes. The proposed cascade process comprises the reorganization of multiple bonds with controlled regioselectivity and high atom economy and can be performed on a gram‐scale. Furthermore, a metal‐free C−H propargylation is observed. The diverse application of this method is also demonstrated.
Temperature‐Responsive Luminescent Solar Concentrators: Tuning Energy Transfer in a Liquid Crystalline Matrix
Authors: Sol Jeroen A. H. P. , Dehm Volker , Hecht Reinhard , Würthner Frank , Schenning Albertus P. H. J. , Debije Michael G. 
Published: December 2017

AbstractTemperature‐responsive luminescent solar concentrators (LSCs) have been fabricated in which the Förster resonance energy transfer (FRET) between a donor–acceptor pair in a liquid crystalline solvent can be tuned. At room temperatures, the perylene bisimide (PBI) acceptor is aggregated and FRET is inactive; while after heating to a temperature above the isotropic phase of the liquid crystal solvent, the acceptor PBI completely dissolves and FRET is activated. This unusual temperature control over FRET was used to design a color‐tunable LSC. The device has been shown to be highly stable towards consecutive heating and cooling cycles, making it an appealing device for harvesting otherwise unused solar energy.
Borazine‐CF3− Adducts for Rapid, Room Temperature, and Broad Scope Trifluoromethylation
Authors: Geri Jacob B. , Wade Wolfe Michael M. , Szymczak Nathaniel K. 
Published: December 2017

AbstractA fluoroform‐derived borazine CF3− transfer reagent is used to effect rapid nucleophilic reactions in the absence of additives, within minutes at 25 °C. Inorganic electrophiles spanning seven groups of the periodic table can be trifluoromethylated in high yield, including transition metals used for catalytic trifluoromethylation. Organic electrophiles included (hetero)arenes, enabling C−H and C−X trifluoromethylation reactions. Mechanistic analysis supports a dissociative mechanism for CF3− transfer, and cation modification afforded a reagent with enhanced stability.
Stereoselective Total Synthesis of Hetisine‐type C20‐Diterpenoid Alkaloids: Spirasine IV and XI
Authors: Zhang Quanzheng , Zhang Zhongshan , Huang Zhong , Zhang Changhui , Xi Song , Zhang Min 
Published: December 2017

AbstractThe first total synthesis of the architecturally complex hetisine‐type heptacyclic C20‐diterpenoid alkaloids (±)‐spirasine IV and XI is reported. The A/F/G/C tetracyclic skeleton with the challenging N−C6 and C14−C20 linkages was efficiently constructed by an intramolecular azomethine‐ylide‐based 1,3‐dipolar cycloaddition with unusual regioselectivity. SmI2‐mediated free‐radical addition to the arene moiety without prior dearomatization and a stereoselective intramolecular aldol reaction further enabled rapid access to the hetisine core, providing a bicyclo[2.2.2]octane ring with a new oxygen substitution pattern.
Cooperative Formation of Long‐Range Ordering in Water Ad‐layers on Fe3O4(111) Surfaces
Authors: Mirabella Francesca , Zaki Eman , Ivars‐Barceló Francisco , Li Xiaoke , Paier Joachim , Sauer Joachim , Shaikhutdinov Shamil , Freund Hans‐Joachim 
Published: December 2017

AbstractThe initial stages of water adsorption on magnetite Fe3O4(111) surface and the atomic structure of the water/oxide interface remain controversial. Herein, we provide experimental results obtained by infrared reflection–absorption spectroscopy (IRAS) and temperature‐programmed desorption (TPD), corroborated by density functional theory (DFT) calculations showing that water readily dissociates on Fetet sites to form two hydroxo species. These act as an anchor for water molecules to form a dimer complex which self‐assembles into an ordered (2×2) structure. Water ad‐layer ordering is rationalized in terms of a cooperative effect induced by a hydrogen‐bonding network.
A Permselective CeOx Coating To Improve the Stability of Oxygen Evolution Electrocatalysts
Authors: Obata Keisuke , Takanabe Kazuhiro 
Published: December 2017

AbstractHighly active NiFeOx electrocatalysts for the oxygen evolution reaction (OER) suffer gradual deactivation with time owing to the loss of Fe species from the active sites into solution during catalysis. The anodic deposition of a CeOx layer prevents the loss of such Fe species from the OER catalysts, achieving a highly stable performance. The CeOx layer does not affect the OER activity of the catalyst underneath but exhibits unique permselectivity, allowing the permeation of OH− and O2 through while preventing the diffusion of redox ions through the layer to function as a selective O2‐evolving electrode. The use of such a permselective protective layer provides a new strategy for improving the durability of electrocatalysts.
Mesoporous hollow silicon spheres modified with manganese ion sieve: Preparation and its application for adsorption of lithium and rubidium ions
Authors: Wang Yuanyuan , Xu Jicheng , Xu Xuechao , Yang Dongya , Zheng Xudong , Pan Jianming , Zhang Tao , Qiu Fengxian , Li Chunxiang 
Published: December 2017

In this work, mesoporous hollow silicon spheres modified with 3‐aminopropyl‐ triethoxysilane (APTES) of loaded hydrogen manganese oxide lithium ion sieve (APTES/HMO‐ HS) was prepared. The structure and morphology of as‐prepared APTES/HMO‐HS were characterized by Fourier transform infrared spectroscopy, scanning electron microscopy, X‐ray photoelectron spectroscopy, transmission electron microscopy and nitrogen adsorption‐desorption measurements. The Brunner‐Emmet‐Teller (BET) surface areas, pore diameters and pore volumes of APTES/HMO‐HS decreased gradually, while the Li:Mn:Si molar ratios range from 1:1:50 to 1:1:10. The obtained hierarchical porous APTES/50HMO‐HS has a high specific surface area (557.1694 m2 g‐1). The lithium and rubidium ions solutions were used to measure the adsorption performance of the APTES/HMO‐HS adsorbent. The pseudo‐first‐order and pseudo‐second‐order kinetics, Langmuir and Freundlich isotherms of APTES/HMO‐HS were investigated; suggesting that the adsorption kinetics can be described by the pseudo‐second‐order kinetic model and the adsorption isotherms well fits the Langmuir isotherm equation. The obtained results show that the prepared APTES/HMO‐HS exhibits excellent abilities to simultaneously and selectively recover Li+ and Rb+ (11.22 mg·g‐1 and 8.31 mg·g‐1) and have a promising application in the simultaneous adsorption of lithium and rubidium ions.
Trickle bed applied to the post‐treatment of blast furnace dust
Authors: Thieffry Guillemette , Charvet Augustin , Bardin‐Monnier Nathalie , Thomas Dominique 
Published: December 2017

AbstractThis study aims to develop an original filtration device based on a trickle bed technology which permits to treat high gas flow rates while maintaining a constant pressure drop by re‐entraining continuously the particles trapped on collectors, thanks to a water film flow. Good results have been obtained for an air flow rate of 20 m3/hr, a liquid flow rate of 12 L/min and using glass beads of 5‐mm diameter as collectors. Experimental results showed a good mass efficiency (89%) and a pressure drop which stabilizes under clogging unlike that of a granular bed which increases during the clogging. The experiments certifying a stable pressure drop during a few tens of hours let us suppose that these tendencies should be extrapolated to much larger times.
Enhanced mechanical properties and fire retardancy of polyamide 6 nanocomposites based on interdigitated crystalline montmorillonite–melamine cyanurate
Authors: Zhao Min , Yi Deqi , Yang Rongjie 
Published: December 2017

ABSTRACTPolyamide 6 (PA6)–montmorillonite (MMT)–melamine cyanurate (MCA) nanocomposites were prepared by the incorporation of interdigitated crystalline MMT–MCA. Their morphologies were assessed by X‐ray diffraction, scanning electron microscopy, transmission electron microscopy, thermal stability measurement by thermogravimetric analysis, mechanical properties measurement by tensile tests, and fire retardancy measurement by limiting oxygen index testing and vertical burning testing (UL‐94). The results indicate that MMT–MCA was homogeneously nanodispersed in PA6. Compared with PA6–MCA, the PA6–MMT–MCA nanocomposites showed enhanced thermal stability. The mechanical properties and fire retardancy show that the PA6–MMT–MCA nanocomposites with 5 wt % total loading of MMT–MCA reached UL‐94 V‐2 rating (3.2 mm) and significantly increased the tensile strength of PA6 up to 24.8 % with only 1 wt % MMT in PA6. Through the control the weight ratio of MMT and MCA in MMT–MCA, the Young's modulus of PA6 could be adjusted in a very wide range (300–1100 MPa) because of the dual role of the rigid MMT and nonrigid MCA layers. The reinforced mechanism of the mechanical properties was also investigated. Consequently, the PA6–MMT–MCA nanocomposites with a good nanodispersing ability, improved thermal stability, excellent mechanical properties, and good flame retardancy were obtained and could provide broad prospects for wider applications for PA6 materials. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46039.
Melt‐processable and self‐healing poly(vinyl alcohol) elastomer containing diol groups in the side chain
Authors: Li Fayong , Xia Hesheng 
Published: December 2017

ABSTRACTA 3‐amino‐1,2‐propane diol functionalized poly(vinyl alcohol) elastomer (PVA–COO–AP) with melt processability and self‐healing properties was prepared by chemical graft modification, that is, a poly(vinyl alcohol) (PVA) carboxylation and carbodiimide reaction. Unlike that of conventional PVA modifiers, the incorporation of diol groups in the 3‐amino‐1,2‐propane diol molecules onto PVA chains reduced the breaking of intrinsic hydrogen‐bonding interactions of PVA because of the formation of new hydrogen bonds between the diol groups and the hydroxyl groups of PVA. PVA–COO–AP possessed a lower melting temperature and a higher decomposition temperature than PVA; this enabled the melt processing of PVA. The PVA–COO–AP samples prepared by compression molding exhibited excellent flexibility and elasticity, and the samples with a lower glass‐transition temperature below ambient temperature could be self‐healed because of the existence of dynamic hydrogen bonds. AP–COO–AP is believed to have potential applications in the fields of fibers and biomedical membranes. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46050.
Synthesis of phospholipidated β‐cyclodextrin and its application for flame‐retardant poly(lactic acid) with ammonium polyphosphate
Authors: Zhang Yan , Han Pengyu , Fang Zhengping 
Published: December 2017

ABSTRACTIn this study, phospholipidated β‐cyclodextrin (PCD) was obtained by the condensation between β‐cyclodextrin and phenyl phosphonic acid dichloride, which was characterized by Fourier transform infrared (FTIR) spectra, 1H‐NMR, and thermogravimetric analysis (TGA). The thermal stability and flame retardancy of the poly(lactic acid) (PLA) blends [PLA–ammonium polyphosphate (APP)–PCD] were measured by TGA coupled to FTIR spectroscopy, vertical burning test (UL‐94), limiting oxygen index (LOI), and cone calorimetry tests. The results show that the mass ratio and loading amount of APP and PCD affected the properties of PLA. When the loading of APP and PCD was 30 wt % and the mass ratio of APP to PCD was 5:1, the highest LOI value of 42.6% (that of neat PLA was 19.7%) and a UL‐94 V0 rating were achieved, and the reduction of the total heat release was greater than 80%. Even when the total amount of APP and PCD was decreased to 20 wt % with the same mass ratio, the flame‐retardant PLA still can achieved a UL‐94 V0 rating. The improved performance was explained by the formation of an intumescent, continuous, contact char layer. Moreover, the reaction between APP and PCD contributed to the improvement of the thermal stability of the char residue. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46054.
Research of phenolic crosslinker gel for profile control and oil displacement in high temperature and high salinity reservoirs
Authors: Fang Jichao , Wang Jianhai , Wen Quanyi , Fang Sisi , He Xiaoqing , Ma Yan , Wu Yining , Dai Caili 
Published: December 2017

ABSTRACTTo further enhance oil recovery of high temperature and high salinity reservoir at Tahe Oilfield, field test results from profile control and oil displacement of gel were carried out in this article. Static and dynamic evaluations were performed through gel strength code method, environment scanning electron microscope, and physical simulation experiment devices. The field test results show that, under the conditions of high temperature (100.8 °C) and salinity (19.8 × 104 mg/L), the stable gel system was formed with gelling time range from 26 to 45 h, gel strength ranging from E to H, and dehydrating amount lower than 3.0% after ageing 60 days. Meanwhile, the microstructure is very stable. When the permeability and gel strength ranges from 0.212 to 0.970 μm2 and E to H, respectively, the plugging ratio is larger than 85%, and the plugging performance becomes better with the increase of permeability or gel strength. Due to the profile improvement rate of 99.8% and the oil recovery up to 28.5%, profile control and oil displacement technology of gel can effectively promote fluid diverting. The water cut reduced from 95.2% to 89.0% during field test carried out in Tahe Oilfield, which means that profile control and oil displacement technology of gel could stabilize oil production by water control effectively. Also, this technology has a wide application prospective that provides with strong technical support for further enhanced oil recovery in high temperature and high salinity reservoirs. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46075.
Effect of POSS‐grafted titanium dioxide on the electrical and thermal properties of LDPE/TiO2 polymer nanocomposite
Authors: Anh Tung Tran , Fréchette Michel , David Éric , Veillette René , Moraille Patricia 
Published: December 2017

ABSTRACTTwo types of nanocomposites have been fabricated by a ball‐milling technique. The first type consists of untreated titanium dioxide (TiO2) incorporated into low‐density polyethylene (LDPE). For the second one, TiO2 filler chemically treated with trisilanol phenyl–polyhedral oligomeric silsesquioxane (TP–POSS) as compatibilizing agent was ball‐milled with LDPE. All specimens were tested by microstructure analysis and thermal, dielectric characterization techniques. Microstructure analysis by atomic force microscopy and scanning electron microscopy show clearly an increased dispersion in presence of POSS. Scanning electron microscopy even shows the formation of a particular structure due possibly to interactions between functionalization. It was observed that the modification of the surface of TiO2 by the POSS decreased the dielectric loss. All nanocomposites containing treated TiO2 revealed an improvement in thermal conductivity, with the most distinct value of 19% in case of LDPE containing 5 wt % treated TiO2. The incorporation of TiO2 fillers seems to reduce the dielectric breakdown strength of the nanocomposites. However, nanocomposites containing 3 and 5 wt % treated TiO2 have exhibited a slightly enhancement in dielectric breakdown strength up to 5%. The improvement in surface resistance to partial discharge was found in all nanocomposites specimens, especially for both types of composite containing 7 wt % untreated and treated TiO2. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46095.
Self‐Complementary Dimers of Oxalamide‐Functionalized Resorcinarene Tetrabenzoxazines
Authors: Džolić Zoran , Beyeh Ngong Kodiah , Cetina Mario , Turunen Lotta , Rissanen Kari 
Published: December 2017

AbstractSelf‐complementarity is a useful concept in supramolecular chemistry, molecular biology and polymeric systems. Two resorcinarene tetrabenzoxazines decorated with four oxalamide groups were synthesized and characterized. The oxalamide groups possessed self‐complementary hydrogen bonding sites between the carbonyls and amide groups. The self‐complementary nature of the oxalamide groups resulted in self‐included dimeric assemblies. The hydrogen bonding interactions within the tetrabenzoxazines gave rise to the formation of dimers, which were confirmed by single‐crystal X‐ray diffractions analysis and supported by NMR spectroscopy and mass spectrometry. The self‐included dimers were connected by numerous and strong intermolecular N−H⋅⋅⋅O and C−H⋅⋅⋅O hydrogen bonds supplemented with C−H⋅⋅⋅π interactions, forming one‐dimensional polymers, which were then further linked into three‐dimensional networks.