bluuebunny/crossref_metadata_2025_split huggingface dataset:
Investigation of Interfacial Changes on Grain Boundaries of Li(Ni0.5Co0.2Mn0.3)O2 in the Initial Overcharge Process
Authors: Yang Qin , Wang Wei , Qian Kun , Li Baohua 
Published: February 2019

AbstractThe interfacial changes and Li ions kinetics on grain boundaries of cathode are still not very clear, especially in the initial overcharge process. Herein, interfacial changes and electrochemical kinetics of Li ions on grain boundaries of Li(Ni0.5Co0.2Mn0.3)O2 (NCM523) are investigated in the initial overcharge to 4.9 V. The mechanism of electrochemical process and interfacial changes of NCM523 is proposed in this study. Two triggering potentials are detected: 4.4 V, indicating oxidation of lattice oxygen; 4.7 V, meaning electrochemical oxidation of electrolyte. Combining with in situ electrochemical impedance spectroscopy results and transmission electron microscope characterization, oxidation of lattice oxygen can be related to the formation of rock salt phase, hampering lithium ions migration from one primary particle to another when charging to higher than 4.4 V. When potential rises to 4.7 V, electrolyte begins to be electrochemical oxidized, causing severe capacity degradation due to excessive consumption of lithium ions. All these factors synergistically induce the capacity degradation of NCM523 during the overcharge cycling performance. The upper limiting voltage of NCM523 should be no higher than 4.4 V to prolong its life cycle.
Tuning the Wettability of Vertically Aligned CNT–TiO2 Hybrid Electrodes for Enhanced Supercapacitor Performance
Authors: Avasthi Piyush , Balakrishnan Viswanath 
Published: February 2019

AbstractBoosting the energy density of carbon‐based materials is of great importance for developing supercapacitors with high cyclic stability. Chemical vapor deposition (CVD) growth of vertically aligned carbon nanotube (VACNT) forest is reported with millimeter height on Si/SiO2 substrate and engineer its microstructure and wettability for remarkable supercapacitor performance. A simple method to alter the microstructure of VACNT forest by adding small amount of ethanol in KOH electrolyte is demonstrated. The modified electrolyte facilitates the formation of pores and channels in CNT forest and leads to increased active surface area. Microstructure‐engineered CNT forest is further coated conformally with 3 nm of TiO2 using atomic layer deposition. The developed VACNT‐TiO2 hybrid shows 102‐fold increase in energy density, 20‐fold increase in specific capacitance, and 13‐fold increase in power density along with high capacitive retention as compared to bare VACNT in KOH. This improved performance is correlated to formation of micro channels that enable more accessible surface area for electrolytic ions. The demonstrated simple electrolyte engineering approach with increased energy density of aligned CNT‐TiO2 hybrid is relevant for portable energy storage applications.
Engineering the Dynamics of Active Colloids by Targeted Design of Metal–Semiconductor Heterojunctions
Authors: Gibbs John G. , Sarkar Sumant , Leeth Holterhoff Andrew , Li Mingyang , Castañeda John , Toller Justin 
Published: February 2019

AbstractSelf‐propelled colloids are primed to become scaled up, nano‐ and microscale inorganic analogues of molecular motors and machines. In order to advance toward the ambitious goal of employing such active particles to form genuine man‐made small scale machinery, a significantly diversified library of particle types, capable of a wide range of motive behaviors, must be available. Here, it is shown that the dynamics of photoactivated, self‐phoretic particles can be engineered by targeted design of metal–semiconductor heterojunctions. This effect is demonstrated with three different microswimmers consisting of an elongated semiconducting tail made from anatase titanium dioxide; all three of which would otherwise be identical absent vapor‐deposited coatings of gold at different locations on the tails. The specific location of the heterojunction determines the swimming behavior for each type. Although here only one shape and material combination is focused upon, engineering active particles with site‐specific metal–semiconductor heterojunctions is a general technique for achieving desired kinematic behavior in active colloidal matter.
Designable Polymeric Microparticles from Droplet Microfluidics for Controlled Drug Release
Authors: He Fan , Zhang Mao‐Jie , Wang Wei , Cai Quan‐Wei , Su Yao‐Yao , Liu Zhuang , Faraj Yousef , Ju Xiao‐Jie , Xie Rui , Chu Liang‐Yin 
Published: February 2019

AbstractDrug delivery systems that can control drug release profile to ensure a high therapeutic efficacy and reduced side effects are highly desired in pharmaceutical and biomedical fields. Microparticles are the most commonly used drug delivery systems, because they can be easily administrated to patients, and be engineered with different structures and functions for keeping drug stability, delivering drugs to a desired location, and releasing drugs with a predetermined rate in a well‐controlled manner. Microfluidic techniques show great power for controllable generation of highly monodisperse multiple emulsion droplets with unprecedented structural diversity. Microfluidics‐templated emulsions allow elaborately design and controllable generation of highly uniform microparticles with well‐controlled sizes, shapes, compositions, and structures, and integrated functions for controlled drug release. This review highlights recent progress on controllable microfluidic fabrication of monodisperse emulsion templates and the resultant polymeric microparticles with well‐tailored structures and functions for flexible encapsulation and controlled release of drugs. Especially, a comprehensive overview of the recent biomedical applications of these microparticles with diverse release mechanisms is provided. Finally, perspectives on further advancing the microfluidic techniques for fabricating functional microparticles from lab scale to industrial scale are discussed.
Recent Insights from Computational Materials Chemistry into Interfaces Relevant to Enhanced Oil Recovery
Authors: Singh Nirpendra , Sharma Sitansh , Vovusha Hakkim , Li Huifang , Schwingenschlögl Udo 
Published: February 2019

AbstractEfficient usage of earth's limited oil reserves requires fundamental understanding of the interfacial effects governing oil recovery. As experimental access to such knowledge is often limited, modern simulation techniques are constantly gaining relevance in this field of research. This progress report therefore addresses recent studies of materials chemistry dealing with computational approaches to obtain insights into the interaction between rock surfaces, water, and oil components. It aims both at providing a starting point for newcomers to the field and at equipping experts with an overview of new developments. Being the most prominent mineral in oil reservoirs and the main component of sedimentary carbonate rock, special attention is given to interfaces involving calcite (CaCO3). While the research field still develops in two branches with most studies dealing either with rock–water or rock–oil interaction, it will be important to consider also collective effects at general rock–water–oil interfaces in future investigations.
Engineering Oxygen Migration for Homogeneous Volume Resistive Switching in 3‐Terminal Devices
Authors: Gonzalez‐Rosillo Juan Carlos , Ortega‐Hernandez Rafael , Arndt Benedikt , Coll Mariona , Dittmann Regina , Obradors Xavier , Palau Anna , Suñe Jordi , Puig Teresa 
Published: February 2019

AbstractResistive switching effects are in a superb position to tackle the challenges for the near future of nanoelectronics and neuromorphics. Material‐wise, the outstanding properties of strongly correlated metallic perovskite oxides, in particular, those displaying metal–insulator transition can be exploited for a new generation of devices based on a volume resistive switching (VRS) phenomenon beyond filamentary and interface ideas. This study reports a full description of this new and robust physical mechanism governing VRS memory effects in mixed‐valence mixed‐conductor metallic La1−xSrxMnO3−y perovskites by identifying the role and rate limiting steps of oxygen exchange through oxygen partial pressure experiments. It is demonstrated that oxygen migration can be smartly engineered by introducing a CeO2−x capping layer, which is further used to validate the VRS phenomenon by operating a nonvolatile and volumetric proof‐of‐concept gate‐controlled three‐terminal conductive bridge device.
Sub 10 nm Bilayer Bi2O2Se Transistors
Authors: Yang Jie , Quhe Ruge , Li Qiuhui , Liu Shiqi , Xu Lianqiang , Pan Yuanyuan , Zhang Han , Zhang Xiuying , Li Jingzhen , Yan Jiahuan , Shi Bowen , Pang Hua , Xu Lin , Zhang Zhiyong , Lu Jing , Yang Jinbo 
Published: February 2019

AbstractDue to high carrier mobility and excellent air stability, emerging 2D semiconducting Bi2O2Se is attracting much attention as a potential channel candidate for the next‐generation field effect transistor (FETs). Although the fabricated bilayer (BL) and few layers Bi2O2Se FETs exhibit a large current on/off ratio (>106) and a near‐ideal subthreshold swing value (≈65 mV dec−1), the performance limit of ultrashort channel Bi2O2Se FET is obscure. Here the ballistic performance upper limit of the sub 10 nm BL Bi2O2Se metal‐oxide‐semiconductor FETs (MOSFETs) is simulated for the first time by using ab initio quantum transport simulations. The optimized BL Bi2O2Se n‐type MOSFETs can fulfill the high performance device requirements on the on‐state current, delay time, and power dissipation of the International Technology Roadmap for Semiconductors in 2028 until the gate length is scaled down to 5 nm. Therefore, Moore's law can be extended to 5 nm by taking BL Bi2O2Se as the channel.
Thermoelectric Properties of PEDOT:PSS
Authors: Fan Zeng , Ouyang Jianyong 
Published: February 2019

AbstractNowadays, organic thermoelectric (TE) materials have attracted considerable attention due to their unique merits, e.g., light‐weight, high mechanical flexibility, nontoxicity, easy availability, and intrinsically low thermal conductivity. Among the organic/polymer TE materials reported so far, poly(3,4‐ethylenedioxythiophene):poly(styrenensulfonate) (PEDOT:PSS) is extensively investigated because it is water‐processable, thermally stable, and can be highly conductive. Over the past few years, the TE properties of the PEDOT‐based TE materials are continuously improved. With rational design, some PEDOT:PSS‐based materials have achieved high ZT values comparable to the conventional inorganic TE materials like bismuth telluride at room temperature. This paper reviews the recent breakthroughs for PEDOT:PSS‐based TE polymers and composites. The strategies for achieving high‐performance PEDOT:PSS‐based TE materials and the corresponding underlying mechanism are specifically discussed. The TE devices fabricated by the PEDOT:PSS‐based TE materials are also presented, in terms of their fabrication/assembly technique, device configuration and device performance. With all the exciting progress made in the PEDOT:PSS‐based TE materials, the further development and practical applications of the high‐efficient organic TE materials as flexible TE module devices and wearable electronics can be greatly anticipated.
Advances in n‐Type Organic Thermoelectric Materials and Devices
Authors: Sun Yimeng , Di Chong‐An , Xu Wei , Zhu Daoben 
Published: February 2019

AbstractThermoelectric materials have attracted more attention in recent years, which can be corroborated by the increasing scientific publications. Moreover, the optimistic prediction for the thermoelectric industry proves that the practicability of thermoelectric technology is further acknowledged. Recently, benefitting from the rapid development of organic electronics, the research of organic thermoelectric (OTE) materials is receiving particular interest. Cooperation and complementation between organic and inorganic thermoelectric materials could promote the broader application of thermoelectric effect. To realize high conversion efficiency of thermoelectric device, high‐performance p‐ and n‐type OTE materials are both necessary. However, the instability of most n‐type organic materials in air impedes their application for high‐performance thermoelectric conversion. Therefore, more efforts should be made to promote relevant research and applications. Herein, the research progress on OTE materials (n‐type) and devices is reviewed to show readers some details of n‐type OTE research and give some guidelines for further explorations.
Tuning the Reversible Magnetocaloric Effect in Ni–Mn–In‐Based Alloys through Co and Cu Co‐Doping
Authors: Li Zongbin , Yang Jiajing , Li Dong , Li Zhenzhuang , Yang Bo , Yan Haile , Sánchez‐Valdés César Fidel , Llamazares José Luis Sánchez , Zhang Yudong , Esling Claude , Zhao Xiang , Zuo Liang 
Published: February 2019

AbstractThe reversibility of the giant magnetocaloric effect (MCE) through the magnetic field–induced magnetostructural transformation in Ni–Mn–In‐based alloys is a key issue towards the potential magnetic refrigeration applications. In this work, Co and Cu are simultaneously doped to tune the reversible magnetocaloric properties associated with the magnetostructural transformation. Owing to the integration of large magnetization difference ΔM, suitable transformation entropy ΔStr, and narrow thermal hysteresis ΔThys in a Ni46Co3Mn35Cu2In14 alloy, the reversible field–induced inverse martensitic transformation is realized in a wide temperature range of 30 K under the field of 5T, yielding a maximum reversible magnetic entropy change ΔSMmax of 16.4 J kg−1 K−1. Moreover, under a low field change of 1.5T, a large reversible adiabatic temperature variation ΔTad of 2.5 K is also obtained, representing the highest value so far under the low field change of 1.5T in Ni–Mn‐based alloys. It is demonstrated that multi‐component alloying by combining the effects of appropriate substitutional elements is an effective way to develop high‐performance magnetocaloric materials.
High‐Performance Organic Thermoelectric Materials: Theoretical Insights and Computational Design
Authors: Shi Wen , Wang Dong , Shuai Zhigang 
Published: February 2019

AbstractEco‐friendly and high‐performance thermoelectric materials that interconvert heat and electricity based on the Seebeck effect and Peltier effect are urgently needed due to their enormous potential in solid‐state power generation and refrigeration. Recently, revolutionary advances driven by experiments are made in developing innovative organic thermoelectric materials. Meantime, with the help of state‐of‐the‐art first‐principles calculations, theoretical understanding and rational design of organic thermoelectric materials are emerging. This review presents the authors' current progress achieved in design strategies for high‐performance organic thermoelectric materials at the level of atomistic simulation. The in‐depth understanding gained in these explorations will help to build the fundamental structure–property relationship, and in turn promote the development of next‐generation high‐performance organic thermoelectric materials.
Multifunctional Mixed‐Dimensional MoS2–CuO Junction Field‐Effect Transistor for Logic Operation and Phototransistor
Authors: Gao Yu , Zhuge Fuwei , Li Man , He Yuhui , Li Liang , Lv Liang , Zhang Qingfu , Wang Fakun , Su Jianwei , Han Wei , Liu Kailang , Zhai Tianyou 
Published: February 2019

AbstractMixed‐dimensional heterojunction based on 1D nanowires and 2D semiconductors attracts wide interests in constructing short‐channel transistors that overcome limits in 3D semiconductors, where the gate controllability generally suffers mutual interference in multiple gate operation, e.g., in logic circuit and phototransistors. Here, the dual‐gate modulated mixed‐dimensional junction field‐effect transistor (JFET) with an inverted gate‐all‐around configuration based on 2D n‐type MoS2 onto 1D p‐type CuO nanowire is reported. Importantly, the dual‐gate transistor is made free of gate interferences by introducing self‐aligned graphene nanoribbon that screens gate coupling. It is demonstrated that the devised heterojunction could offer stabilized operation in logic NAND circuit, and in photodetection with gate enhanced detectivity of over 1010 Jones from noise measurement and fast response within 5 ms. The results may therefore shed light on the advanced design of 1D–2D mixed‐dimensional JFETs for multifunction purposes.
Characterization of the bubble swarm trajectory in a jet bubbling reactor
Authors: Shuai Yun , Guo Xiaoyun , Wang Haotong , Huang Zhengliang , Yang Yao , Sun Jingyuan , Wang Jingdai , Yang Yongrong 
Published: February 2019

AbstractThe bubble swarm trajectory in the jet bubbling reactor is measured through the bubble image velocimetry (BIV) technique. The result shows that the bubble swarm rises straightly when the jet Reynolds number is lower than 7,000. However, when the jet Reynolds number exceeds 14,000, the bubble swarm exhibits vortex‐like motion, and the bubble vortices oscillate periodically. The oscillating frequency of bubble vortices under the gas bubbling condition is lower than the flapping frequency of pure liquid jet. Moreover, the moving region and oscillating frequency of bubble vortices increase with the jet Reynolds number. The superficial gas velocity has little effect on the bubble swarm trajectory and the oscillating frequency. An empirical correlation between the oscillating frequency of bubble vortices and the jet Reynolds number is built based on the simple harmonic vibration theory.
The difference in nasal bacterial microbiome diversity between chronic rhinosinusitis patients with polyps and a control population
Authors: Gan Weigang , Yang Fengjuan , Tang Yiping , Zhou Danmei , Qing Di , Hu Juanjuan , Liu Shixi , Liu Feng , Meng Juan 
Published: February 2019

BackgroundLittle is known regarding the role of the microbiome of the paranasal sinuses and its contribution to sinus mucosal health and disease. Consequently, we examined the microbiome of chronic rhinosinusitis patients with polyps (CRSwNP) and a control population to provide new insights into the microbiota associated with the pathogenesis of CRSwNP.MethodsFifty‐nine CRSwNP patients and 27 controls were enrolled in the study. The bacterial communities of the middle meatus were detected using 16S ribosomal RNA (rRNA)‒targeted Illumina MiSeq sequencing after microbial DNA was extracted from swabs.ResultsAlthough there was no difference in diversity between the 2 groups, richness was lower in the CRSwNP group than in the control group (p = 0.03). At the phylum level, Firmicutes, Proteobacteria, Actinobacteria, and Bacteroidetes were predominant in both groups; however, the relative abundance was different, with the proportions of Actinobacteria (predominantly Corynebacterium) and Dolosigranulum being significantly higher in the control group than in the CRSwNP group.ConclusionThese results support the theory of microbial dysbiosis as the pathogenesis of CRSwNP. The reduction in the proportions of potentially protective bacteria may decrease the overall stability of the sinonasal bacterial community.
An analysis of factors associated with compliance and dropout of sublingual immunotherapy on Japanese cedar pollinosis patients
Authors: Imanaka Takahiro , Sato Izumi , Kawasaki Yohei , Kanazawa Yuji , Kawakami Koji 
Published: February 2019

BackgroundSublingual immunotherapy (SLIT) is safe and effective but compliance is problematic. In this study we evaluated dropout and compliance among adults (≥20 years of age) and adolescents (<20 years of age) for Japanese cedar pollen extract (JCPE), an aqueous SLIT approved in 2014 in Japan.MethodsAdministrative claims data on 1236 Japanese patients, 846 adults (mean age, 43.0 years; 41.8% female) and 249 adolescents (mean age, 14.1 years; 36.6% female), with a JCPE prescription between October 2014 and June 2016 were reviewed. Adults and adolescents were divided according to the year they started SLIT (1‐ and 2‐year cohorts) to calculate dropout and compliance and identify associated factors using multivariate Cox and linear regression models.ResultsIn 1‐ and 2‐year adult cohorts, dropout rates were 13.5% and 22.1% and compliance rates were 92.8% and 88.8%, respectively. Adolescents had higher dropout and lower compliance. Patients 40‐59 years of age had a lower dropout risk than patients 20‐29 years of age. Dropout hazard ratios (95% confidence interval) in 1‐ and 2‐year cohorts were 0.26 (0.12‐0.58) and 0.40 (0.17‐0.93) in patients 40‐49 years of age and 0.32 (0.14‐0.75) and 0.35 (0.13‐0.92) in patients 50‐59 years of age, respectively. Younger age contributed to lower compliance in 1‐ and 2‐year adult cohorts (p = 0.001 and p = 0.02, respectively). Systemic steroidal medication history and male gender were positively associated with compliance in adults but not in adolescents.ConclusionHigh dropout rate was associated with younger generations. Compliance in adults, but not in adolescents, was associated with age, systemic steroidal medication history, and gender.
Fcc versus Non‐fcc Structural Isomerism of Gold Nanoparticles with Kernel Atom Packing Dependent Photoluminescence
Authors: Zhuang Shengli , Liao Lingwen , Yuan Jinyun , Xia Nan , Zhao Yan , Wang Chengming , Gan Zibao , Yan Nan , He Lizhong , Li Jin , Deng Haiteng , Guan Zhaoyong , Yang Jinlong , Wu Zhikun 
Published: February 2019

AbstractStructural isomerism allows the correlation between structures and properties to be investigated. Unfortunately, the structural isomers of metal nanoparticles are rare and genuine structural isomerism with distinctly different kernel atom packing (e.g., face‐centered cubic (fcc) vs. non‐fcc) has not been reported until now. Herein we introduce a novel ion‐induction method to synthesize a unique gold nanocluster with a twist mirror symmetry structure. The as‐synthesized nanocluster has the same composition but different kernel atom packing to an existing gold nanocluster Au42(TBBT)26 (TBBT=4‐tert‐butylbenzenethiolate). The fcc‐structured Au42(TBBT)26 nanocluster shows more enhanced photoluminescence than the non‐fcc‐structured Au42(TBBT)26 nanocluster, indicating that the fcc‐structure is more beneficial for emission than the non‐fcc structure. This idea was supported by comparison of the emission intensity of another three pairs of gold nanoclusters with similar compositions and sizes but with different kernel atom packings (fcc vs. non‐fcc).
Phosphine‐Stabilized Diiododiborenes: Isolable Diborenes with Six Labile Bonds
Authors: Muessig Jonas H. , Thaler Melanie , Dewhurst Rian D. , Paprocki Valerie , Seufert Jens , Mattock James D. , Vargas Alfredo , Braunschweig Holger 
Published: February 2019

AbstractThe lability of B=B, B−P, and B–halide bonds is combined in the syntheses of the first diiododiborenes. In a series of reactivity tests, these diiododiborenes undergo cleavage of all six of their central bonds in different ways, leading to products of B=B hydrogenation and dihalogenation as well as halide exchange.
Metabolically Active, Fully Hydrolysable Polymersomes
Authors: Zhu Yunqing , Poma Alessandro , Rizzello Loris , Gouveia Virginia M. , Ruiz‐Perez Lorena , Battaglia Giuseppe , Williams Charlotte K. 
Published: February 2019

AbstractThe synthesis and aqueous self‐assembly of a new class of amphiphilic aliphatic polyesters are presented. These AB block polyesters comprise polycaprolactone (hydrophobe) and an alternating polyester from succinic acid and an ether‐substituted epoxide (hydrophile). They self‐assemble into biodegradable polymersomes capable of entering cells. Their degradation products are bioactive, giving rise to differentiated cellular responses inducing stromal cell proliferation and macrophage apoptosis. Both effects emerge only when the copolymers enter cells as polymersomes and their magnitudes are size dependent.