bluuebunny/crossref_metadata_2025_split huggingface dataset:
An Effective Method for Recovering Nonradiative Recombination Loss in Scalable Organic Solar Cells
Authors: Xing Zhi , Meng Xiangchuan , Sun Rui , Hu Ting , Huang Zengqi , Min Jie , Hu Xiaotian , Chen Yiwang 
Published: March 2020

AbstractRegarded as a critical step in commercial applications, scalable printing technology has become a research frontier in the field of organic solar cells. However, inevitable efficiency loss always occurs in the lab‐to‐manufacturing translation due to the different fabrication processes. In fact, the decline of photovoltaic performance is mainly related to voltage loss, which is mainly affected by the diversity of phase separation morphology and the chemical structures of photoactive materials. Fullerene derivative indene‐C60 bisadduct (ICBA) is introduced into a PBDB‐T‐2F:IT‐4F system to control the active layer morphology during blade‐coating process. Accordingly, as a symmetrical fullerene derivative, ICBA can regulate the crystallization tendency and molecular packing orientation and suppress charge carrier recombination. This ternary strategy overcomes the morphology issues caused by weaker shear impulse in blade‐coating process. Benefiting from the reduced nonradiative recombination loss, 1.05 cm2 devices are fabricated by blade coating with a power conversion efficiency of 13.70%. This approach provides an effective support for recovering the voltage loss during scalable printing approaches.
Transition‐Metal Dichalcogenide NiTe2: An Ambient‐Stable Material for Catalysis and Nanoelectronics
Authors: Nappini Silvia , Boukhvalov Danil W. , D'Olimpio Gianluca , Zhang Libo , Ghosh Barun , Kuo Chia‐Nung , Zhu Haoshan , Cheng Jia , Nardone Michele , Ottaviano Luca , Mondal Debashis , Edla Raju , Fuji Jun , Lue Chin Shan , Vobornik Ivana , Yarmoff Jory A. , Agarwal Amit , Wang Lin , Zhang Lixue , Bondino Federica , Politano Antonio 
Published: March 2020

AbstractBy means of theory and experiments, the application capability of nickel ditelluride (NiTe2) transition‐metal dichalcogenide in catalysis and nanoelectronics is assessed. The Te surface termination forms a TeO2 skin in an oxygen environment. In ambient atmosphere, passivation is achieved in less than 30 min with the TeO2 skin having a thickness of about 7 Å. NiTe2 shows outstanding tolerance to CO exposure and stability in water environment, with subsequent good performance in both hydrogen and oxygen evolution reactions. NiTe2‐based devices consistently demonstrate superb ambient stability over a timescale as long as one month. Specifically, NiTe2 has been implemented in a device that exhibits both superior performance and environmental stability at frequencies above 40 GHz, with possible applications as a receiver beyond the cutoff frequency of a nanotransistor.
Conversion‐Type MnO Nanorods as a Surprisingly Stable Anode Framework for Sodium‐Ion Batteries
Authors: Wang Shitong , Dong Yanhao , Cao Fangjun , Li Yutong , Zhang Zhongtai , Tang Zilong 
Published: March 2020

AbstractThe emergence of nanomaterials in the past decades has greatly advanced modern energy storage devices. Nanomaterials can offer high capacity and fast kinetics yet are prone to rapid morphological evolution and degradation. As a result, they are often hybridized with a stable framework in order to gain stability and fully utilize its advantages. However, candidates for such framework materials are rather limited, with carbon, conductive polymers, and Ti‐based oxides being the only choices; note these are all inactive or intercalation compounds. Conventionally, alloying‐/conversion‐type electrodes, which are thought to be electrochemically unstable by themselves, have never been considered as framework materials. This concept is challenged. Successful application of conversion‐type MnO nanorod as a anode framework for high‐capacity Mo2C/MoOx nanoparticles has been demonstrated in sodium‐ion batteries. Surprisingly, it can stably deliver 110 mAh g−1 under extremely high rate of 8000 mA g−1 (≈70 C) over 40 000 cycles with no capacity decay. More generally, this is considered as a proof of concept and much more alloying‐/conversion‐type materials are expected to be explored for such applications.
Graphene‐Assisted Epitaxy of Nitrogen Lattice Polarity GaN Films on Non‐Polar Sapphire Substrates for Green Light Emitting Diodes
Authors: Liu Fang , Zhang Zhihong , Rong Xin , Yu Ye , Wang Tao , Sheng Bowen , Wei Jiaqi , Zhou Siyuan , Yang Xuelin , Xu Fujun , Qin Zhixin , Zhang Yuantao , Liu Kaihui , Shen Bo , Wang Xinqiang 
Published: March 2020

AbstractLattice polarity is a key point for hexagonal semiconductors such as GaN. Unfortunately, only Ga‐polarity GaN have been achieved on graphene till now. Here, the epitaxy of high quality nitrogen‐polarity GaN films on transferred graphene on non‐polar sapphire substrates by molecular beam epitaxy is reported. This success is achieved through atomic nitrogen irradiation, where CN bonds are formed in graphene and provide nucleation sites for GaN and leading to N‐polarity GaN epitaxy. The N‐polarity characteristics are confirmed by chemical etching and transmission electron microscopy measurement. Due to the higher growth temperature of InGaN at N‐polarity than that at Ga‐polarity, green light emitting diodes are fabricated on the graphene‐assisted substrate, where a large redshift of emission wavelength is observed. These results open a new avenue for the polarity modulation of III‐nitride films based on 2D materials, and also pave the way for potential application in longer wavelength light emitting devices.
Universal Elaboration of Al‐Doped TiO2 as an Electron Extraction Layer in Inorganic–Organic Hybrid Perovskite and Organic Solar Cells
Authors: Kim Jun Young , Rhee Seunghyun , Lee Hyunho , An Kunsik , Biswas Swarup , Lee Yongju , Shim Jae Won , Lee Changhee , Kim Hyeok 
Published: March 2020

AbstractFabricating an electron extraction layer (EEL) with a metal doping transition metal oxide (TMO) in inorganic–organic hybrid perovskite solar cells (PeSCs) and organic solar cells (OSCs) is a simple and efficient process for enhancing photovoltaic properties. Here, the universal benefits and common factors that influence both PeSCs and OSCs as a result of changes in Al‐doped TiO2 properties are investigated. These common factors are identified in two separate mechanisms. The first involves surface smoothing of TiO2 films, which affects the formation of a high crystalline active layer and reduces recombination between the electron extraction and active layers. The second involves bandgap widening of TiO2, which reduces the activation energy and enhances the quenching efficiency of devices. These factors are demonstrated in various measurements. The results will help in understanding the fundamental benefits of Al‐doped TiO2 in solution‐processed thin‐film solar cells.
Effect of the Degree of the Gate‐Dielectric Surface Roughness on the Performance of Bottom‐Gate Organic Thin‐Film Transistors
Authors: Geiger Michael , Acharya Rachana , Reutter Eric , Ferschke Thomas , Zschieschang Ute , Weis Jürgen , Pflaum Jens , Klauk Hagen , Weitz Ralf Thomas 
Published: March 2020

AbstractIn organic thin‐film transistors (TFTs) fabricated in the inverted (bottom‐gate) device structure, the surface roughness of the gate dielectric onto which the organic‐semiconductor layer is deposited is expected to have a significant effect on the TFT characteristics. To quantitatively evaluate this effect, a method to tune the surface roughness of a gate dielectric consisting of a thin layer of aluminum oxide and an alkylphosphonic acid self‐assembled monolayer over a wide range by controlling a single process parameter, namely the substrate temperature during the deposition of the aluminum gate electrodes, is developed. All other process parameters remain constant in the experiments, so that any differences observed in the TFT performance can be confidently ascribed to effects related to the difference in the gate‐dielectric surface roughness. It is found that an increase in surface roughness leads to a significant decrease in the effective charge‐carrier mobility and an increase in the subthreshold swing. It is shown that a larger gate‐dielectric surface roughness leads to a larger density of grain boundaries in the semiconductor layer, which in turn produces a larger density of localized trap states in the semiconductor.
Topological Space‐Time Photonic Transitions in Angular‐Momentum‐Biased Metasurfaces
Authors: Barati Sedeh Hooman , Salary Mohammad Mahdi , Mosallaei Hossein 
Published: March 2020

AbstractIn this paper, topological space‐time photonic transition of light in angular‐momentum‐biased metasurfaces is established, which yields a superposition of orbital‐angular‐momentum (OAM)‐carrying beams at distinct frequency harmonics upon scattering whose topological charges and frequency shifts are correlated. A reflective dielectric metasurface is considered that consists of silicon nanodisk heterostructures integrated with indium‐tin‐oxide and gate dielectric layers placed on a back mirror forming a dual‐gated field effect modulator. The metasurface is divided into several azimuthal sections wherein the nanodisk heterostructures are interconnected via biasing lines. Addressing each azimuthal section with radio‐frequency biasing signals separately allows for flexible implementation of different spatiotemporal modulation profiles. Active tuning of OAM states with high mode‐purity is demonstrated, which yields minimal cross‐talk between OAM channels in a mode‐multiplexed communication system. Moreover, the role of spatiotemporal modulation profile on the spectral and spatial diversity of OAM states is explored. It is shown that angular‐momentum‐biased metasurfaces allow opportunities for hybridized mode‐division and wavelength‐division multiple access through multiplexing and multicasting across distinct OAM states and wavelengths. The nonreciprocity of topological space‐time photonic transitions across the temporal frequency domain and Hilbert space of OAM states is also investigated giving rise to distinct twisted light channels in up‐ and down‐links.
Effective Ratiometric Luminescent Thermal Sensor by Cr3+‐Doped Mullite Bi2Al4O9 with Robust and Reliable Performances
Authors: Back Michele , Ueda Jumpei , Xu Jian , Asami Kazuki , Brik Mikhail G. , Tanabe Setsuhisa 
Published: March 2020

AbstractThe design of effective optical systems featuring high thermal sensitivity able to discriminate ever smaller variations of temperature in noncontact mode is of critical importance to face the challenges brought by the modern‐day technological revolution. If from one hand, the ratiometric optical thermometers based on Boltzmann distribution are demonstrated to be characterized by a unique reliability, on the other hand, robust performances in different environments are highly desired for new applications such as in situ thermal sensing of catalytic reactions. Here, the crystal field experienced by Cr3+ in Bi2Al4O9 is investigated demonstrating the potential of this system as ratiometric self‐referencing thermal sensor being characterized by high relative sensitivity (1.24% K−1 at 290 K). The remarkable absolute sensitivity results in an exceptional low thermal resolution of ≈0.2 K, 15‐fold lower than for the conventional Nd3+‐based thermometers used in biological applications. The comparison of the performances among different systems evidences the potential of Cr3+‐based thermometers with thermal resolution even lower than the state of the art diamond. In addition, the pH dependence of the photoluminescence emission confirms a high stability also at extreme conditions of basic and acid environments and the aging effects are tested for one week.
Large Out‐of‐Plane Second Harmonic Generation Susceptibility in Penta‐ZnS2 Sheet
Authors: Shen Yiheng , Guo Yaguang , Wang Qian 
Published: March 2020

AbstractSecond harmonic generation (SHG) of 2D materials has received considerable attention because of the enhanced response to the incident light as compared to that of their bulk counterparts. A significant SHG effect in a new 2D pentagon‐based structure of ZnS2 sheet, penta‐ZnS2, is reported for the first time. On the basis of first‐principles calculations combined with global structure search and independent particle approximation, penta‐ZnS2 is found to be dynamically, thermally, and mechanically stable. Unlike most reported 2D materials with only in‐plane SHG response, penta‐ZnS2 exhibits giant out‐of‐plane SHG susceptibility, which is two to three orders of magnitude larger than that of Janus 2D materials, due to the lack of centrosymmetry and out‐of‐plane mirror symmetry of its geometric structure. The underlying mechanism of the large SHG effect can be applied to other pentagon‐based sheets consisting of different elements, thus expanding the family of 2D materials with strong out‐of‐plane SHG response.
Common mycorrhizal networks contribute to overyielding in faba bean/coix intercropping systems
Authors: Qiao Xu , Guo Xinwei , Li Ailian 
Published: March 2020

AbstractIntercropping typically results in overyielding, particularly in sustainable, low‐input agriculture systems. We designed a greenhouse experiment to understand how common mycorrhizal networks (CMNs) regulate intra‐ and inter‐specific plant−plant interactions in intercropping systems, utilizing microcosms divided into one inner and four outer compartments. The inner compartment was separated from the outer compartments by a 0.45 μm mesh (+Soil water and nutrients−CMNs−Roots), a 30 μm mesh (+Soil water and nutrients+CMNs−Roots), a solid barrier (−Soil water and nutrients−CMNs−Roots), and no barrier (+Soil water and nutrients+CMNs+Roots). Both faba bean (Vicia faba L.) and coix (Coix lachryrma‐jobi L.) were grown as the donor plants in the inner compartment. The plant combinations were donor coix−receiver coix, donor coix−receiver faba bean, donor faba bean−receiver faba bean, and donor faba bean−receiver coix. The inner compartment was inoculated with Flomus intraradices, or Funneliformis mosseae, or remained noninoculated in soil with low P content (< 5 g/kg soil). Our study found that there were clear advantages of interspecific interaction (coix/faba bean combination) over intraspecific (coix/coix and faba bean/faba bean combinations) in the both presence and absence of arbuscular mycorrhizal fungus (AMF). The establishment of CMNs appears to promote intra‐ and inter‐specific interactions between donor and receiver plants, and exhibits strong positive effects on plant growth and P uptake. The contribution to plant growth and P uptake of CMNs formed by F. mosseae was greater than by F. intraradices.
Optimization of the amines‐CO2 capture process by a nonequilibrium rate‐based modeling approach
Authors: López‐Bautista Luis Angel , Flores‐Tlacuahuac Antonio 
Published: March 2020

AbstractAmine‐based chemical absorption has become the most mature technology among carbon dioxide capture processes, featuring the advantages of high separation efficiencies and its simplicity to attach it to existent industrial facilities. Nevertheless, further improvements on its performance are required in order to implement this technology to a wider extent. Energy expenditure at the solvent regeneration unit has been remarked as the major drawback of the process under discussion; therefore, the main objective of this work is to compute optimal operating policies which ensure minimum heat load at the reboiler along with reasonable removal efficiencies. A deterministic mathematical model of a reported pilot plant was deployed as the basis for the nonlinear programming optimization formulations, using a rate‐based approach and an eNRTL thermodynamic framework. Several optimization scenarios were studied to account for diverse capture targets and degrees of freedom. Furthermore, sensitivity analyses were performed to understand the stand‐alone effect of some variables on the process. Results reflect the importance of optimizing the complete plant to account for significant interactions between variables, as well as choosing an operational arrangement according to the separation goal demanded.
A scoping review to identify strategies that work to prevent four important occupational diseases
Authors: Keefe Anya R. , Demers Paul A. , Neis Barbara , Arrandale Victoria H. , Davies Hugh W. , Gao Zhiwei , Hedges Kevin , Holness D. Linn , Koehoorn Mieke , Stock Susan R. , Bornstein Stephen 
Published: March 2020

AbstractBackgroundDespite being largely preventable, many occupational diseases continue to be highly prevalent and extremely costly. Effective strategies are required to reduce their human, economic, and social impacts.MethodsTo better understand which approaches are most likely to lead to progress in preventing noise‐related hearing loss, occupational contact dermatitis, occupational cancers, and occupational asthma, we undertook a scoping review and consulted with a number of key informants.ResultsWe examined a total of 404 articles and found that various types of interventions are reported to contribute to occupational disease prevention but each has its limitations and each is often insufficient on its own. Our principal findings included: legislation and regulations can be an effective means of primary prevention, but their impact depends on both the nature of the regulations and the degree of enforcement; measures across the hierarchy of controls can reduce the risk of some of these diseases and reduce exposures; monitoring, surveillance, and screening are effective prevention tools and for evaluating the impact of legislative/policy change; the effect of education and training is context‐dependent and influenced by the manner of delivery; and, multifaceted interventions are often more effective than ones consisting of a single activity.ConclusionsThis scoping review identifies occupational disease prevention strategies worthy of further exploration by decisionmakers and stakeholders and of future systematic evaluation by researchers. It also identified important gaps, including a lack of studies of precarious workers and the need for more studies that rigorously evaluate the effectiveness of interventions.
“Anti‐elektrostatische” Halogenbrücken
Authors: Holthoff Jana M. , Engelage Elric , Weiss Robert , Huber Stefan M. 
Published: March 2020

AbstractHalogenbrücken (XB) werden oft als primär elektrostatische Wechselwirkung beschrieben. Deshalb scheinen Addukte zwischen anionischen XB‐Donoren (halogen‐basierten Lewis‐Säuren) und Anionen der Intuition zu widersprechen. Solche “anti‐elektrostatischen” XBs wurden anhand von theoretischen Studien vorhergesagt, für organische XB‐Donoren sind jedoch keine experimentellen Beispiele bekannt, mit Ausnahme einiger weniger Fälle von Selbstassoziation. Im Rahmen dieser Veröffentlichung berichten wir von der Synthese zweier anionischer Organoiodverbindungen, die auf ihre Befähigung zur Ausbildung “anti‐elektrostatischer” XBs mit Anionen untersucht wurden. Obwohl das elektrostatische Potential auf der gesamten Oberfläche beider Verbindungen durchgängig negativ ist, weisen DFT‐Rechnungen auf eine kinetische Stabilisierung der entsprechenden Halogenidkomplexe in der Gasphase und insbesondere in Lösung hin. Experimentell konnte die Selbstassoziation zu Ketten, Dimeren und Trimeren der anionischen XB‐Donoren im Kristall beobachtet werden. Zusätzlich konnten Cokristalle mit Halogenid‐Ionen erhalten werden. Diese sind das erste Beispiel für Halogenbrücken zwischen organischen anionischen XB‐Donoren und strukturell unterschiedlichen Anionen. Die Bindungslängen aller beobachteten Addukte sind 14–21 % kürzer als die Summe der Van‐der‐Waals‐Radien.
Photocatalytic Difunctionalization of Vinyl Ureas by Radical Addition Polar Truce–Smiles Rearrangement Cascades
Authors: Abrams Roman , Clayden Jonathan 
Published: March 2020

AbstractWe report tandem alkyl‐arylations and phosphonyl‐arylations of vinyl ureas by way of a photocatalytic radical‐polar crossover mechanism. Addition of photoredox‐generated radicals to the alkene forms a new C−C or C−P bond and generates a product radical adjacent to the urea function. Reductive termination of the photocatalytic cycle generates an anion that undergoes a polar Truce–Smiles rearrangement, forming a C−C bond. The reaction is successful with a range of α‐fluorinated alkyl sodium sulfinate salts and diarylphosphine oxides as radical precursors, and the conformationally accelerated Truce–Smiles rearrangement is not restricted by the electronic nature of the migrating aromatic ring. Formally the reaction constitutes an α,β‐difuctionalisation of a carbon–carbon double bond, and proceeds under mild conditions with visible light and a readily available organic photocatalyst. The products are α,α‐diaryl alkylureas typically functionalized with F or P substituents that may be readily converted into α,α‐diaryl alkylamines.
High‐Valent Metal–Oxo Species at the Nodes of Metal–Triazolate Frameworks: The Effects of Ligand Exchange and Two‐State Reactivity for C−H Bond Activation
Authors: Rosen Andrew S. , Notestein Justin M. , Snurr Randall Q. 
Published: March 2020

AbstractThrough quantum‐chemical calculations, we investigate a family of metal–organic frameworks (MOFs) containing triazolate linkers, M2X2(BBTA) (M=metal, X=bridging anion, H2BBTA=1H,5H‐benzo(1,2‐d:4,5‐d′)bistriazole), for their ability to form terminal metal–oxo sites and subsequently activate the C−H bond of methane. By varying the metal and bridging anion in the framework, we show how to significantly tune the reactivity of this series of MOFs. The electronic structure of the metal–oxo active site is analyzed for each combination of metal and bridging ligand, and we find that spin density localized on the oxo ligand is not an inherent requirement for low C−H activation barriers. For the Mn‐ and Fe‐containing frameworks, a transition from ferromagnetic to antiferromagnetic coupling between the metal binding site and terminal oxo ligand during the C−H activation process can greatly reduce the kinetic barrier, a unique case of two‐state reactivity without a change in the net spin multiplicity.
A Double Cation–π‐Driven Strategy Enabling Two‐Dimensional Supramolecular Polymers as Efficient Catalyst Carriers
Authors: Xiao Xuedong , Chen Hongbo , Dong Xuxu , Ren Dazhuo , Deng Qiang , Wang Dapeng , Tian Wei 
Published: March 2020

AbstractThe cation–π interaction is a strong non‐covalent interaction that can be used to prepare high‐strength, stable supramolecular materials. However, because the molecular plane of a cation‐containing group and that of aromatic structure are usually perpendicular when forming a cation–π complex, it is difficult to exploit the cation–π interaction to prepare a 2D self‐assembly in which the molecular plane of all the building blocks are parallel. Herein, a double cation–π‐driven strategy is proposed to overcome this difficulty and have prepared 2D self‐assemblies with long‐range ordered molecular hollow hexagons. The double cation–π interaction makes the 2D self‐assemblies stable. The 2D self‐assemblies are to be an effective carrier that can eliminate metal‐nanoparticle aggregation. Such 2D assembly/palladium nanoparticle hybrids are shown to exhibit recyclability and superior catalytic activity for a model reaction.
Alkyl Carbazates for Electrochemical Deoxygenative Functionalization of Heteroarenes
Authors: Gao Yongyuan , Wu Zhengguang , Yu Lei , Wang Yi , Pan Yi 
Published: March 2020

AbstractThe C−O bond cleavage for activation of alcohols is synthetically useful and practically challenging. This work describes carbazate as a new type of electrochemically activated alkylating agent derived from ubiquitous alcohols for direct functionalization of heteroarenes under mild electrolytic conditions. The simple undivided cell at low oxidative potentials with carbon/platinum electrode set‐ups offers excellent substrate tolerance, affording a variety of primary, secondary and tertiary alkyl‐decorated heterocycles in good chemical yields. Furthermore, the mechanism for this electrochemical deoxyalkylation reaction has been investigated.