bluuebunny/crossref_metadata_2025_split huggingface dataset:
Understanding the Reaction Chemistry during Charging in Aprotic Lithium–Oxygen Batteries: Existing Problems and Solutions
Authors: Shu Chaozhu , Wang Jiazhao , Long Jianping , Liu Hua‐Kun , Dou Shi‐Xue 
Published: February 2019

AbstractThe aprotic lithium–oxygen (Li–O2) battery has excited huge interest due to it having the highest theoretical energy density among the different types of rechargeable battery. The facile achievement of a practical Li–O2 battery has been proven unrealistic, however. The most significant barrier to progress is the limited understanding of the reaction processes occurring in the battery, especially during the charging process on the positive electrode. Thus, understanding the charging mechanism is of crucial importance to enhance the Li–O2 battery performance and lifetime. Here, recent progress in understanding the electrochemistry and chemistry related to charging in Li–O2 batteries is reviewed along with the strategies to address the issues that exist in the charging process at the present stage. The properties of Li2O2 and the mechanisms of Li2O2 oxidation to O2 on charge are discussed comprehensively, as are the accompanied parasitic chemistries, which are considered as the underlying issues hindering the reversibility of Li–O2 batteries. Based on the detailed discussion of the charging mechanism, innovative strategies for addressing the issues for the charging process are discussed in detail. This review has profound implications for both a better understanding of charging chemistry and the development of reliable rechargeable Li–O2 batteries in the future.
Beyond Activated Carbon: Graphite‐Cathode‐Derived Li‐Ion Pseudocapacitors with High Energy and High Power Densities
Authors: Wang Gang , Oswald Steffen , Löffler Markus , Müllen Klaus , Feng Xinliang 
Published: February 2019

AbstractSupercapacitors have aroused considerable attention due to their high power capability, which enables charge storage/output in minutes or even seconds. However, to achieve a high energy density in a supercapacitor has been a long‐standing challenge. Here, graphite is reported as a high‐energy alternative to the frequently used activated carbon (AC) cathode for supercapacitor application due to its unique Faradaic pseudocapacitive anion intercalation behavior. The graphite cathode manifests both higher gravimetric and volumetric energy density (498 Wh kg−1 and 431.2 Wh l−1) than an AC cathode (234 Wh kg−1 and 83.5 Wh l−1) with peak power densities of 43.6 kW kg−1 and 37.75 kW l−1. A new type of Li‐ion pseudocapacitor (LIpC) is thus proposed and demonstrated with graphite as cathode and prelithiated graphite or Li4Ti5O12 (LTO) as anode. The resultant graphite–graphite LIpCs deliver high energy densities of 167–233 Wh kg−1 at power densities of 0.22–21.0 kW kg−1 (based on active mass in both electrodes), much higher than 20–146 Wh kg−1 of AC‐derived Li‐ion capacitors and 23–67 Wh kg−1 of state‐of‐the‐art metal oxide pseudocapacitors. Excellent rate capability and cycling stability are further demonstrated for LTO‐graphite LIpCs.
Aggregation‐Induced Emission of Highly Planar Enaminone Derivatives: Unexpected Fluorescence Enhancement by Bromine Substitution
Authors: Li Hua , Shu Haiyang , Liu Yang , Wu Xiaofu , Tian Hongkun , Tong Hui , Wang Lixiang 
Published: February 2019

AbstractUnlike typical aggregation‐induced‐emission (AIE) molecules with twist/rotor structures, two AIE‐active enaminone derivatives with highly planar conformations are herein reported. Interestingly, the bromine‐substituted enaminone fluorophore (BrE) exhibits unexpected stronger emission in solid states than unsubstituted enaminone fluorophore (HE), which is seldom observed for organic fluorophores. Remarkably, the fluorescence quantum efficiency of BrE crystal is ten times as large as that of HE crystal. Based on single‐crystal analysis and theoretical calculation, the unusual fluorescence behavior is attributed to the important effect of bromide substituents which not only form intermolecular Br⋅⋅⋅Br halogen bonding to block nonradiative relaxation pathways efficiently but also promote the radiative process.
Direct Vapor Growth of 2D Vertical Heterostructures with Tunable Band Alignments and Interfacial Charge Transfer Behaviors
Authors: Zheng Weihao , Zheng Biyuan , Yan Changlin , Liu Ying , Sun Xingxia , Qi Zhaoyang , Yang Tiefeng , Jiang Ying , Huang Wei , Fan Peng , Jiang Feng , Ji Wei , Wang Xiao , Pan Anlian 
Published: February 2019

Abstract2D vertical van der Waals (vdW) heterostructures with atomically sharp interfaces have attracted tremendous interest in 2D photonic and optoelectronic applications. Band alignment engineering in 2D heterostructures provides a perfect platform for tailoring interfacial charge transfer behaviors, from which desired optical and optoelectronic features can be realized. Here, by developing a two‐step chemical vapor deposition strategy, direct vapor growth of monolayer PbI2 on monolayer transition metal dichalcogenides (TMDCs) (WS2, WSe2, or alloying WS2(1−x)Se2x), forming bilayer vertical heterostructures, is demonstrated. Based on the calculated electron band structures, the interfacial band alignments of the obtained heterostructures can be gradually tuned from type‐I (PbI2/WS2) to type‐II (PbI2/WSe2). Steady‐state photoluminescence (PL) and time‐resolved PL measurements reveal that the PL emissions from the bottom TMDC layers can be modulated from apparently enhanced (for WS2) to greatly quenched (for WSe2) compared to their monolayer counterparts, which can be attributed to the band alignment–induced distinct interfacial charge transfer behaviors. The band alignment nature of the heterostructures is further demonstrated by the PL excitation spectroscopy and interlayer exciton investigation. The realization of 2D vertical heterostructures with tunable band alignments will provide a new material platform for designing and constructing multifunctional optoelectronic devices.
Toward a Reversible Calcium‐Sulfur Battery with a Lithium‐Ion Mediation Approach
Authors: Yu Xingwen , Boyer Mathew J. , Hwang Gyeong S. , Manthiram Arumugam 
Published: February 2019

AbstractCalcium represents a promising anode for the development of high‐energy‐density, low‐cost batteries. However, a lack of suitable electrolytes has restricted the development of rechargeable batteries with a Ca anode. Furthermore, to achieve a high energy density system, sulfur would be an ideal cathode to couple with the Ca anode. Unfortunately, a reversible calcium‐sulfur (Ca‐S) battery has not yet been reported. Herein, a basic study of a reversible nonaqueous room‐temperature Ca‐S battery is presented. The reversibility of the Ca‐S chemistry and high utilization of the sulfur cathode are enabled by employing a Li+‐ion‐mediated calcium‐based electrolyte. Mechanistic insights pursued by spectroscopic, electrochemical, microscopic, and theoretical simulation (density functional theory) investigations imply that the Li+‐ions in the Ca‐electrolyte stimulate the reactivation of polysulfide/sulfide species. The coordination of lithium to sulfur reduces the formation of sturdy Ca‐S ionic bonds, thus boosting the reversibility of the Ca‐S chemistry. In addition, the presence of Li+‐ions facilitates the ionic charge transfer both in the electrolyte and across the solid electrolyte interphase layer, consequently reducing the interfacial and bulk impedance of Ca‐S batteries. As a result, both the utilization of active sulfur in the cathode and the discharge voltage of Ca‐S batteries are significantly improved.
Defect Engineering of Oxygen‐Deficient Manganese Oxide to Achieve High‐Performing Aqueous Zinc Ion Battery
Authors: Xiong Ting , Yu Zhi Gen , Wu Haijun , Du Yonghua , Xie Qidong , Chen Jingsheng , Zhang Yong‐Wei , Pennycook Stephen John , Lee Wee Siang Vincent , Xue Junmin 
Published: February 2019

AbstractA major limitation of MnO2 in aqueous Zn/MnO2 ion battery applications is the poor utilization of its electrochemical active surface area. Herein, it is shown that by generating oxygen vacancies (VO) in the MnO2 lattice, Gibbs free energy of Zn2+ adsorption in the vicinity of VO can be reduced to thermoneutral value (≈0.05 eV). This suggests that Zn2+ adsorption/desorption process on oxygen‐deficient MnO2 is more reversible as compared to pristine MnO2. In addition, because of the fact that fewer electrons are needed for ZnO bonding in oxygen‐deficient MnO2, more valence electrons can be contributed into the delocalized electron cloud of the material, which aids in enhancing the attainable capacity. As a result, the stable Zn/oxygen‐deficient MnO2 battery is able to deliver one of the highest capacities of 345 mAh g−1 reported for a birnessite MnO2 system. This excellent electrochemical performance suggests that generating oxygen vacancies in MnO2 may aid in the future development of advanced cathodes for aqueous Zn ion batteries.
Platinum/Nickel Bicarbonate Heterostructures towards Accelerated Hydrogen Evolution under Alkaline Conditions
Authors: Lao Mengmeng , Rui Kun , Zhao Guoqiang , Cui Peixin , Zheng Xusheng , Dou Shi Xue , Sun Wenping 
Published: February 2019

AbstractHeterostructured nanomaterials, generally have physicochemical properties that differ from those of the individual components, and thus have potential in a wide range of applications. New platinum (Pt)/nickel bicarbonate (Ni(HCO3)2) heterostructures are designed for an efficient alkaline hydrogen evolution reaction (HER). Notably, the specific and mass activity of Pt in Pt/Ni(HCO3)2 are substantially improved compared to the bare Pt nanoparticles (NPs). The Ni(HCO3)2 provides abundant water adsorption/dissociation sites and modulate the electronic structure of Pt, which determine the elementary reaction kinetics of alkaline HER. The Ni(HCO3)2 nanoplates offer a platform for the uniform dispersion of Pt NPs, ensuring the maximum exposure of active sites. The results demonstrate that, Ni(HCO3)2 is an effective catalyst promoter for alkaline HER.
A Multifunctional Peptide‐Conjugated AIEgen for Efficient and Sequential Targeted Gene Delivery into the Nucleus
Authors: Cheng Yong , Sun Chunli , Liu Rui , Yang Juliang , Dai Jun , Zhai Tianyou , Lou Xiaoding , Xia Fan 
Published: February 2019

AbstractGene therapy has immense potential as a therapeutic approach to serious diseases. However, efficient delivery and real‐time tracking of gene therapeutic agents have not been solved well for successful gene‐based therapeutics. Herein we present a versatile gene‐delivery strategy for efficient and visualized delivery of therapeutic genes into the targeted nucleus. We developed an integrin‐targeted, cell‐permeable, and nucleocytoplasmic trafficking peptide‐conjugated AIEgen named TDNCP for the efficient and sequential targeted delivery of an antisense single‐stranded DNA oligonucleotide (ASO) and tracking of the delivery process into the nucleus. As compared with TDNCP/siRNA‐NPs (siRNA functions mainly in the cytoplasm), TDNCP/ASO‐NPs (ASO functions mainly in the nucleus) exhibited a better interference effect, which further indicates that TDNCP is a nucleus‐targeting vector. Moreover, TDNCP/ASO‐NPs showed a favorable tumor‐suppressive effect in vivo.
Microencapsulated amino‐functional polydimethylsiloxane as autonomous external self‐healing agent for epoxy systems
Authors: Weihermann Wanessa R. K. , Meier Marcia M. , Pezzin Sergio H. 
Published: February 2019

ABSTRACTThe self‐healing material under investigation is a diglycidyl ether of bisphenol A (DGEBA) epoxy matrix, which incorporates microcapsules filled with amine‐functionalized polydimethylsiloxane (PDMS‐a), as a new healing agent, combined with microcapsules filled with triethylenetetramine (TETA). The fracture toughness (KIC) and healing efficiency of these systems were measured using tapered double‐cantilever beam specimens. Fractographic analysis shows the rupture of microcapsules and release of the healing agent, inducing a change in the mirror‐like fracture plane morphology of neat epoxy and healing of cracks. It was also observed that PDMS‐a reduces the stiffness of the epoxy matrix, resulting in greater energy release rate (UIC) values. The values of self‐healing efficiency for systems healed for 48 h at room temperature varied from 0.82 to 1.0 (η, from KIC values) and from 1.0 to 1.4 (η’, considering UIC values). Specimens healed at 80°C containing 2.5 wt% of microcapsules filled with PDMS‐a and TETA achieved η = 1.1 and η’ = 2.0, indicating a highly efficient self‐healing process. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47627.
Effects of nanoparticle size and concentration on optical, toughness, and thermal properties of polycarbonate
Authors: Nomai Jiraporn , Schlarb Alois K. 
Published: February 2019

ABSTRACTThe influences of size and content of silicon dioxide (SiO2) nanoparticles on the morphological, optical, toughness, and thermal properties of polycarbonate (PC) were investigated. The PC nanocomposites were prepared using a twin‐screw extruder followed by injection molding. The scanning electron microscope (SEM) micrographs displayed an adequate level of nano‐SiO2 particle distribution within the PC matrix but still revealed some agglomerated particles. Upon increasing the content of nanoparticles, slightly larger agglomerates formed. These agglomerated particles caused a reduction in material transparency due to light loss via reflection and scattering. However, the incorporation of nano‐SiO2 into the PC matrix greatly improved toughness properties and slightly increased glass‐transition temperature (Tg), in conjunction with filler content (up to 4 vol %). This was particularly in the case with the smaller sized nano‐SiO2, which not only significantly improved toughness but also enhanced optical properties of the PC nanocomposites. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47634.
Assessment of local influence for the analysis of agreement
Authors: Leal Carla , Galea Manuel , Osorio Felipe 
Published: February 2019

AbstractThe concordance correlation coefficient (CCC) and the probability of agreement (PA) are two frequently used measures for evaluating the degree of agreement between measurements generated by two different methods. In this paper, we consider the CCC and the PA using the bivariate normal distribution for modeling the observations obtained by two measurement methods. The main aim of this paper is to develop diagnostic tools for the detection of those observations that are influential on the maximum likelihood estimators of the CCC and the PA using the local influence methodology but not based on the likelihood displacement. Thus, we derive first‐ and second‐order measures considering the case‐weight perturbation scheme. The proposed methodology is illustrated through a Monte Carlo simulation study and using a dataset from a clinical study on transient sleep disorder. Empirical results suggest that under certain circumstances first‐order local influence measures may be more powerful than second‐order measures for the detection of influential observations.
Sustainable development and environmental policy: The engagement of stakeholders in green products in Vietnam
Authors: Le Van Quang , Viet Nguyen Thanh , Nguyen Manh Hung 
Published: February 2019

AbstractFacing the challenge of environmental degradation in Vietnam, a growing number of firms have begun to integrate environmental management systems into their business strategies and develop green product diversification strategies. On the basis of the stakeholder theory, this paper attempts to explore the influences of stakeholders on the implementation of horizontal and vertical green product diversification. Empirical results show that foreign customers play a significant role in driving companies to adopt strategy of green product diversification. For foreign‐invested enterprises, the effect is limited to the adoption of horizontal green product diversification. It further reveals that institutional weakness, lack of transparency, community stakeholders, and regulatory stakeholders have no significant effect on the corporate green product strategy.
Green human resource management: Development of a valid measurement scale
Authors: Shah Muzammel 
Published: February 2019

AbstractThe objective of the study was to develop a valid measurement scale for green human resource management (HRM). Even though the common practices of green HRM have been presented in much of the literature, the previous studies focused only on a small number of functions in integrating environmental management with HRM. Additionally, the measurement of green HRM practices still calls for empirical validation. The two‐stage methodology of structural equation modeling in AMOS was employed for data analysis. Exploratory factor analysis revealed seven dimensions of the construct measured by 28 items. Confirmatory factor analysis confirmed the factor structure. The measuring instruments revealed convergent and discriminant validity. Several model fit indices indicated the model fitness. The study provided supplementary evidence on the underlying structure of the construct that can be valuable to researchers and practitioners in this area.
Environmental management systems and environmental product innovation: The role of stakeholder engagement
Authors: Papagiannakis Giorgos , Voudouris Irini , Lioukas Spyros , Kassinis George 
Published: February 2019

AbstractEnvironmental product innovation (EPI) is an imperative for contemporary business as it enhances firm competitiveness and provides significant societal benefits. Arguments that the use of environmental management systems—such as ISO 14001—may enhance EPI have not been empirically supported. In this study, we argue that the environmental management systems–EPI relationship is contingent upon the level of a firm's engagement with three groups of stakeholders, namely, suppliers, customers, and the local community. Using a sample of 1,314 manufacturing firms for the period 2003 and 2014, we find empirical evidence that supports our hypothesis for all three groups of stakeholders. Further analysis reveals that for firms with prior experience with quality management systems, engagement with local communities becomes the critical condition. We discuss the implications of these results for both theory and practice.
Community psychology, digital technology, and loss: Remembrance activities of young adults who have experienced the death of a close friend
Authors: Stein Catherine H. , Hartl Majcher Jessica , Froemming Maren W. , Greenberg Sarah C. , Benoit Matthew F. , Gonzales Sabrina M. , Petrowski Catherine E. , Mattei Gina M. , Dulek Erin B. 
Published: February 2019

AbstractWe argue for community psychology to include digital communications technology in research on ways that the social environment shapes fundamental human experiences. We present a qualitative study that examined the narrative accounts of 20 young adults who experienced the death of a close friend to describe both traditional and digital forms of remembrance in coping with loss. Findings suggest that young adults' activities both online and offline were intended to acknowledge the loss, exchange social support, create and sustain memories of their deceased friend, and facilitate continued communication with the deceased. Participants described both costs and benefits to their real and virtual remembrance activities. Findings illustrate ways that the study of digital technology adds to our understanding of grief and bereavement and contributes to dominant cultural narratives about coping with death. Implications of findings for research in community psychology are discussed.
Combining Chemical Synthesis and Enzymatic Methylation to Access Short RNAs with Various 5′ Caps
Authors: Muthmann Nils , Guez Théo , Vasseur Jean‐Jacques , Jaffrey Samie R. , Debart Françoise , Rentmeister Andrea 
Published: February 2019

AbstractEukaryotic RNAs are heavily processed, including co‐ and post‐transcriptional formation of various 5′ caps. In small nuclear RNAs (snRNAs) or small nucleolar RNAs (snoRNAs), the canonical 7mG cap is hypermethylated at the N2‐position, whereas in higher eukaryotes and viruses 2′‐O‐methylation of the first transcribed nucleotide yields the cap1 structure. The function and potential dynamics of several RNA cap modifications have not been fully elucidated, which necessitates preparative access to these caps. However, the introduction of these modifications during chemical solid‐phase synthesis is challenging and enzymatic production of defined short and uniform RNAs also faces difficulties. In this work, the chemical synthesis of RNA is combined with site‐specific enzymatic methylation by using the methyltransferases human trimethylguanosine synthase 1 (hTgs1), trimethylguanosine synthase from Giardia lamblia (GlaTgs2), and cap methyltransferase 1 (CMTR1). It is shown that RNAs with di‐and trimethylated caps, as well as RNAs with caps methylated at the 2′‐O‐position of the first transcribed nucleotide, can be conveniently prepared. These highly modified RNAs, with a defined and uniform sequence, are hard to access by in vitro transcription or chemical synthesis alone.
Mixing and Heat Transfer of Granular Materials in an Externally Heated Rotary Kiln
Authors: Zhang Zhe , Liu Yilun , Zhao Xianqiong , Xiao Yougang , Lei Xianming 
Published: February 2019

AbstractA heat transfer model based on the discrete element software EDEM and the secondary development tool C++ is developed to simulate the mixing and heat transfer process of particles under different parameters. This model is validated by comparison with experimental data and proved reasonable. It aims to study the heat transfer law of flowing particles in an externally heated rotary kiln and reveal the correlation between mixing and heat transfer from the mechanism. The results show that the combination of the total contact area between adherent particles and the drum wall, the mean temperature difference between adherent particles and the drum wall, the total contact area between particles, and the mean temperature difference between particles affect the heat transfer process. Changes in the temperature differences caused by the mixing rate dominate the heat transfer at different speeds or filling rates.
Improvement of the Electrochemical Behavior of (Sb, Sn, Cu)O Ceramic Electrodes as Electrochemical Advanced Oxidation Anodes
Authors: Giner‐Sanz Juan J. , Sánchez‐Rivera María J. , García‐Gabaldón Montserrat , Ortega Emma M. , Mestre Sergio , Pérez‐Herranz Valentín 
Published: February 2019

AbstractThis work explores the possibility of increasing the active surface of a Sb‐doped SnO2 ceramic electrode using CuO as sintering aid, by incorporating petroleum coke as a pore generator. In order to fulfil this goal, three series of (Sb, Sn, Cu)O electrodes with different coke contents were synthetized. The properties of the electrodes, and their microstructure, change significantly as a function of the coke content before sintering. The electrochemical characterization of the synthesized electrodes showed that the coke addition before sintering causes two antagonist effects on the performance of the (Sn, Sb, Cu)O as anodes in electrochemical advanced oxidation processes (EAOP). On one hand, it significantly improves the electrochemical roughness factor of the electrode, solving the densification problem in this way. On the other hand, it worsens the electrochemical behavior of the electrode: narrowing its electrochemical window; and “activating” it slightly. The addition of coke before sintering changes the kinetic parameters, leading to a kinetic situation in which the accumulation of hydroxyl radicals is slightly lower. A balance must be sought: an intermediate coke content will improve significantly the electrochemical roughness factor of the electrode, but will only worsen slightly its electrochemical behavior, leading to an optimum (Sn, Sb, Cu)O EAOP anode.