bluuebunny/crossref_metadata_2025_split huggingface dataset:
Anomalous Interfacial Electronic Structure of Solid Films of Non‐Planar π‐Conjugated Molecule 6‐Cycloparaphenylene
Authors: Furuichi Takaya , Inoue Takuya , Miyaji Kouki , Kanai Kaname 
Published: April 2022

Abstractn‐Cycloparaphenylene ([n]CPP) is a non‐planar π‐conjugated molecule with a macrocyclic, hoop‐like molecular structure that allows for control of the electronic structure unlike planar molecules. Thus, [n]CPP has the potential as a novel functional material in organic electronics. In this study, the unique electronic structure of [6]CPP is revealed, which originates from its macrocyclic molecular structure by comparison with p‐sexiphenyl, a linear molecule also consisting of six phenylenes. The morphology of the vapor‐deposited [6]CPP polycrystalline film is found to be highly dependent on the evaporation rate and the type of substrate. It is also found that a [6]CPP molecular layer is formed at the interface between the film and gold substrate, which has a much smaller energy gap than that of the bulk [6]CPP. This anomalous molecular layer is composed of [6]CPP molecules with a smaller dihedral angle than that in the bulk because of the interaction with a gold substrate. When [6]CPP is used as a semiconducting layer in electronic devices, this layer can play a role in improving the charge injection efficiency from the electrode to the [6]CPP film.
Self‐Assembly Silver Nanoparticles Decorated on Gold Nanoislands for Label‐Free Localized Surface Plasmon Resonance Biosensing
Authors: Liu Linlin , Liang Xiongyi , Qiu Guangyu , Guo Chen , Chan Yau Kwan , Wu Chi‐Man Lawrence 
Published: April 2022

AbstractA nanostructure of self‐assembly silver nanoparticles decorated on gold nanoislands (SAM Ag@AuNIs) is proposed in this article as a sensitive sensing medium for localized surface plasmon resonance (LSPR) biosensing applications. A wide tunable plasmonic sensing range from 472 to 552 nm is found by adjusting the Au–Ag atomic ratio. Biotin is employed as an indicator to investigate the potential biosensing applicability and site‐specific bioactivity of the SAM Ag@AuNIs. In virtue of a white light common‐path sensing system, direct adsorption of biotin on the SAM Ag@AuNIs is measured in label‐free manner with detection limit (LOD) of 2.9 pg mL−1 (11.87 × 10−12 m). It is 105‐fold better than that of TiN film, which is previously reported to provide excellent LSPR LOD after functionalization with biotin. The experimental and computational results indicate that the biotin molecule can selectively immobilize onto the Ag nanoparticles (AgNPs) surface through S–Ag bonding, resulting in site‐specific functionalization. Meanwhile, the geometry of AgNPs/AuNIs provided a coupling effect that helps to improve the sensitivity. Here, AgNPs are, for the first time, reported to be directly functionalized with biotin. The SAM Ag@AuNIs can serve as a desirable plasmonic medium in the biosensing community based on the exceptionally good LOD of biotin.
Commercial‐Like Self‐Cleaning Colored ZrO2‐Based Bilayer Coating for Remarkable Daytime Sub‐Ambient Radiative Cooling
Authors: Liu Henghao , Kang Hongjun , Jia Xin , Qiao Xianshu , Qin Wei , Wu Xiaohong 
Published: April 2022

AbstractPassive daytime radiative cooling (PDRC) is a low‐carbon energy technology to early achieve the “carbon neutrality” goal. Developing the commercial‐like colored PDRC coatings with sub‐ambient cooling performance is still a big challenge. Herein, a colored bilayer ZrO2‐PVDF PDRC coating with sub‐ambient cooling performance, self‐cleaning, and good weather resistance property is first reported. The colored bilayer coating is composed of a thick ultra‐white ZrO2‐PVDF reflective layer (Rsolar = 0.984) and a thin colorful layer. The obtained red bilayer ZrO2‐PVDF PDRC coating has a high solar reflectance (Rsolar = 0.950), which could realize the maximum temperature drop of 3.0 °C, and the calculated theoretical cooling power is as high as 131.66 W m−2, showing a good sub‐ambient cooling performance. Furthermore, they show a good self‐cleaning property. Meanwhile, the accelerated aging tests prove that they have a good weather resistance. This work provides a low‐cost, simple, and large‐scale method to prepare the commercial‐like colored PDRC coatings with the sub‐ambient cooling performance, showing a great practical application value.
Silver Nanowire Synthesis and Applications in Composites: Progress and Prospects
Authors: Fu Danning , Yang Rendang , Wang Yang , Wang Ruibin , Hua Feiguo 
Published: April 2022

AbstractSilver nanowires (AgNWs) have gained increased interest as highly conductive and transparent nanomaterials with numerous applications across various fields. Owing to their unique properties (e.g., optical transparency, electrical conductivity, mechanical characteristics, and ease of processing), AgNWs have been extensively investigated for application in light‐emitting diodes, solar cells, electrocatalysis, liquid crystal displays, wearable electronic devices, flexible nanosensors, and supercapacitors. In this review, recent advances in the synthesis of AgNWs (including the polyol, template, wet chemical, and photoreduction methods) are discussed, with a focus on their advantages and disadvantages in terms of AgNW structural regulation. Furthermore, the advantages and applications of AgNW composites, are comprehensively reviewed and analyzed, with a focus on energy storage and optoelectronics, sensors, electromagnetic interference shielding and absorbing materials, nanogenerators, and other applications. The prospects and challenges of AgNW composites in emerging applications are also proposed.
A 3D‐Printed Customizable Platform for Multiplex Dynamic Biofilm Studies
Authors: Dhall Atul , Ramjee Ravikiran , Oh Min Jun , Tao Kevin , Hwang Geelsu 
Published: April 2022

AbstractBiofilms are communities of microbes that colonize surfaces. While several biofilm experimental models exist, they often have limited replications of spatiotemporal dynamics surrounding biofilms. For a better understanding dynamic and complex biofilm development, this manuscript presents a customizable platform compatible with off‐the‐shelf well plates that can monitor microbial adhesion, growth, and associated parameters under various relevant scenarios by taking advantage of 3D printing. The system i) holds any substrate in a stable, vertical position, ii) subjects samples to flow at different angles, iii) switches between static and dynamic modes during an experiment, and iv) allows multiplexing and real‐time monitoring of biofilm parameters. Simulated fluid dynamics is employed to estimate flow patterns around discs and shear stresses at disc surfaces. A 3D printed peristaltic pump and a customized pH measurement system for real‐time tracking of spent biofilm culture media are equipped with a graphical user interface that grants control over all experimental parameters. The system is tested under static and dynamic conditions with Streptococcus mutans using different carbon sources. By monitoring the effluent pH and characterizing biochemical, microbiological, and morphological properties of cultured biofilms, distinct properties are demonstrated. This novel platform liberates designing experimental strategies for investigations of biofilms under various conditions.
Correlated Dynamics of Free and Self‐Trapped Excitons and Broadband Photodetection in BEA2PbBr4 Layered Crystals
Authors: Li Gefei , Zhang Yong , Wang Wenhui , Gao Lei , Ren Yukun , Che Junyan , Mo Chunjing , Liu Hongwei , Zhao Weijie , Lu Junpeng , Ni Zhenhua 
Published: April 2022

AbstractSelf‐trapped excitons (STEs) exert a profound impact on the optical properties and device applications of 2D halide perovskites. Particularly distinct exciton self‐trapping and detrapping processes can facilitate the intelligent design of perovskite optoelectronic devices with emerging functionalities. Thus, a comprehensive understanding and regulation of exciton trapping and detrapping dynamics are highly desired. Herein, the authors report a 2D lead halide perovskite (BEA2PbBr4 where BEA is 2‐bromine ethylamine) with exceptional broadband photoluminescence (PL), which originates from multiple STE states. In particular, the unique energy‐level configuration of STEs with respect to free excitons is revealed by exploiting optical spectroscopy. Consequently, these distinct phenomena empower the broadband photodetection capability of BEA2PbBr4 photodetectors over a wide range from ultraviolet to near‐infrared wavelengths. These results provide an essential understanding of the intriguing photophysics of STEs and shed new light on the future development of single‐component perovskite broadband optoelectronic devices.
A Miniaturized Anechoic Chamber: Omnidirectional Impedance Matching Based on Truncated Spatial Kramers–Kronig Medium
Authors: Li Quanping , Luo Yu , Liu Dongjue , Gao Yuan , Zhang Jingjing , Ran Lixin , Ye Dexin 
Published: April 2022

AbstractSpatial Kramers–Kronig (KK) medium provides a new platform to achieve omnidirectionally reflectionless absorption without using any gain elements. However, impedance‐matched spatial KK media realized in previous experiments generally have flat geometries with large transverse dimensions. Realizing finite spatial KK absorbers in free space background is important for many practical applications but has not been demonstrated experimentally thus far. Here, the concept of spatial KK relation to cylindrical coordinates is extended and a double‐resonance space‐frequency KK permittivity profile is implemented in a circular geometry. Omnidirectional impedance matching to free space is achieved by truncating the spatial KK absorber at the boundary where the relative permittivity is unity. For the experimental verification, a two‐dimensional 6.6‐wavelength‐diameter doughnut‐shaped anechoic chamber is implemented using the designed spatial KK medium. The measured electric field distributions and experimental imaging confirm the omnidirectionally reflectionless property, demonstrating that this miniaturized anechoic chamber is suitable for electrically small scatterer measurements and imaging. The proposed finite spatial KK absorber and fabricated miniaturized anechoic chamber show great promises for electromagnetic shielding and compatibility.
Numerical Simulation of n‐MoSe2/p‐Si Solar Cells by AFORS‐HET
Authors: Shen Yuheng , Yu Meng , Huang Ruiming , Cheng Qijin 
Published: April 2022

AbstractFor a thorough understanding of n‐MoSe2/p‐Si heterojunction solar cells, the effect of the MoSe2 band gap, the back electrode work function, the density of interface states, as well as the introduction of the interface layer on the performance of MoSe2/Si heterojunction solar cells is systematically investigated via AFORS‐HET simulation software. It is shown that a higher MoSe2 band gap, a higher back electrode work function, a lower density of interface states, and an introduction of a thin intrinsic hydrogenated amorphous silicon as an interface layer, are favorable for the achievement of high‐performance MoSe2/Si heterojunction solar cells. Through the simulation optimization, a photovoltaic conversion efficiency of 12.31% with an open‐circuit voltage of 0.61 V, a short‐circuit current density of 26.47 mA cm−2, as well as a fill factor of 75.4%, can be obtained for the n‐MoSe2/p‐Si heterojunction solar cells. To interpret the obtained simulation results, the authors have carefully analyzed the current–voltage curves, energy band diagrams, electron and hole concentration distributions, electron and hole recombination rates, etc. This study indicates that silicon‐based heterojunction solar cells with MoSe2 as an active layer are of great significance in the development of high‐efficiency photovoltaic devices.
Density Functional Theory‐Based Calculations for 2D Hexagonal Lanthanide Metals
Authors: Sangolkar Akanksha Ashok , Jha Sakshi , Pawar Ravinder 
Published: April 2022

AbstractScrutiny of the stability, properties, and applications of 2D metals belonging to s‐, p‐, and d‐block series has acquired intense research interest in the past few years. The present report is solely focused to systematically explore the stability and properties of 2D hexagonal (HX) lanthanides employing density functional theory calculations. To probe the dynamical stability of these materials, the phonon dispersion calculation is performed. The mechanical stability is analyzed on the basis of the 2D bulk modulus and elastic constant values. Further, to unravel the electronic properties of the 2D metals, electronic band structure, electron localization function, and the work function values are estimated. Moreover, en route to explore their magnetic properties, spin polarized density of states calculation is carried out and the ground state magnetic behavior is studied by considering ferromagnetic and antiferromagnetic spin configurations. Result explicitly demonstrates that 11 lanthanide metals are dynamically stable as an atomically thin 2D HX films. All of them are conducting in nature exhibiting ferromagnetic behavior in their ground state. These results offer the fundamentals of stability and properties of 2D HX lanthanides which can lay the foundation for exploring their diverse future applications.
Molecular Signature of Astrocytes for Gene Delivery by the Synthetic Adeno‐Associated Viral Vector rAAV9P1
Authors: Bauer Amelie , Puglisi Matteo , Nagl Dennis , Schick Joel A , Werner Thomas , Klingl Andreas , El Andari Jihad , Hornung Veit , Kessler Horst , Götz Magdalena , Grimm Dirk , Brack‐Werner Ruth 
Published: April 2022

AbstractAstrocytes have crucial functions in the central nervous system (CNS) and are major players in many CNS diseases. Research on astrocyte‐centered diseases requires efficient and well‐characterized gene transfer vectors. Vectors derived from the Adeno‐associated virus serotype 9 (AAV9) target astrocytes in the brains of rodents and nonhuman primates. A recombinant (r) synthetic peptide‐displaying AAV9 variant, rAAV9P1, that efficiently and selectively transduces cultured human astrocytes, has been described previously. Here, it is shown that rAAV9P1 retains astrocyte‐targeting properties upon intravenous injection in mice. Detailed analysis of putative receptors on human astrocytes shows that rAAV9P1 utilizes integrin subunits αv, β8, and either β3 or β5 as well as the AAV receptor AAVR. This receptor pattern is distinct from that of vectors derived from wildtype AAV2 or AAV9. Furthermore, a CRISPR/Cas9 genome‐wide knockout screening revealed the involvement of several astrocyte‐associated intracellular signaling pathways in the transduction of human astrocytes by rAAV9P1. This study delineates the unique receptor and intracellular pathway signatures utilized by rAAV9P1 for targeting human astrocytes. These results enhance the understanding of the transduction biology of synthetic rAAV vectors for astrocytes and can promote the development of advanced astrocyte‐selective gene delivery vehicles for research and clinical applications.
Colloidal III–V Quantum Dot Photodiodes for Short‐Wave Infrared Photodetection
Authors: Leemans Jari , Pejović Vladimir , Georgitzikis Epimitheas , Minjauw Matthias , Siddik Abu Bakar , Deng Yu‐Hao , Kuang Yinghuan , Roelkens Gunther , Detavernier Christophe , Lieberman Itai , Malinowski Paweł E. , Cheyns David , Hens Zeger 
Published: April 2022

AbstractShort‐wave infrared (SWIR) image sensors based on colloidal quantum dots (QDs) are characterized by low cost, small pixel pitch, and spectral tunability. Adoption of QD‐SWIR imagers is, however, hampered by a reliance on restricted elements such as Pb and Hg. Here, QD photodiodes, the central element of a QD image sensor, made from non‐restricted In(As,P) QDs that operate at wavelengths up to 1400 nm are demonstrated. Three different In(As,P) QD batches that are made using a scalable, one‐size‐one‐batch reaction and feature a band‐edge absorption at 1140, 1270, and 1400 nm are implemented. These QDs are post‐processed to obtain In(As,P) nanocolloids stabilized by short‐chain ligands, from which semiconducting films of n‐In(As,P) are formed through spincoating. For all three sizes, sandwiching such films between p‐NiO as the hole transport layer and Nb:TiO2 as the electron transport layer yields In(As,P) QD photodiodes that exhibit best internal quantum efficiencies at the QD band gap of 46±5% and are sensitive for SWIR light up to 1400 nm.
Multi‐Mode and Dynamic Persistent Luminescence from Metal Cytosine Halides through Balancing Excited‐State Proton Transfer
Authors: Xiao Guowei , Fang Xiaoyu , Ma Yu‐Juan , Yan Dongpeng 
Published: April 2022

AbstractPersistent luminescence has attracted great attention due to the unique applications in molecular imaging, photodynamic therapy, and information storage, among many others. However, tuning the dynamic persistent luminescence through molecular design and materials engineering remains a challenge. In this work, the first example of excitation‐dependent persistent luminescence in a reverse mode for smart optical materials through tailoring the excited‐state proton transfer process of metal cytosine halide hybrids is reported. This approach enables ultralong phosphorescence and thermally activated delayed fluorescence emission colors highly tuned by modulation of excitation wavelength, time evolution, and temperature, which realize multi‐mode dynamic color adjustment from green to blue or cyan to yellow‐green. At the single crystal level, the 2D excitation/space/time‐resolved optical waveguides with triple color conversion have been constructed on the organic‐metal halide microsheets, which represent a new strategy for multi‐dimensional information encryption and optical logic gate applications.
Toward Efficiency Limits of Crystalline Silicon Solar Cells: Recent Progress in High‐Efficiency Silicon Heterojunction Solar Cells
Authors: Sun Zhaoqing , Chen Xiaoqing , He Yongcai , Li Jingjie , Wang Jianqiang , Yan Hui , Zhang Yongzhe 
Published: April 2022

AbstractPhotovoltaic (PV) technology is ready to become one of the main energy sources of, and contributers to, carbon neutrality by the mid‐21st century. In 2020, a total of 135 GW of PV modules were produced. Crystalline silicon solar cells dominate the world's PV market due to high power conversion efficiency, high stability, and low cost. Silicon heterojunction (SHJ) solar cells are one of the promising technologies for next‐generation crystalline silicon solar cells. Compared to the commercialized homojunction silicon solar cells, SHJ solar cells have higher power conversion efficiency, lower temperature coefficient, and lower manufacturing temperatures. Recently, several new record efficiencies have been achieved. To meet the continued demand for high‐efficiency solar cells, expectations for large‐scale mass production of SHJ solar cells are rising. To approach the efficiency limit and industrialization of SHJ solar cells, serious attempts have been made, yielding higher short‐circuit current, open‐circuit voltage, and fill factor. In this article, these recent advancements are reviewed, which reveals the future roadmap for approaching the efficiency limit.
Covalent Organic Framework for Rechargeable Batteries: Mechanisms and Properties of Ionic Conduction
Authors: Cao Yu , Wang Meidi , Wang Hongjian , Han Chengyu , Pan Fusheng , Sun Jie 
Published: April 2022

AbstractIonic conduction plays a critical role in the process of electrode reactions and the charge transfer kinetics in a rechargeable battery. Covalent organic frameworks (COFs) have emerged as an exciting new class of ionic conductors, and have made great progress in terms of their application in rechargeable batteries. The unique features of COFs, such as well‐defined directional channels, functional diversity, and structural robustness, endow COF‐based conductors with a low ionic diffusion energy barrier and excellent temperature tolerance, which are much superior to the classic inorganic or polymer conductors. Here, a comprehensive analysis and summary of the unique ion‐conducting behavior of COF‐based conductors are presented, and the design principles for ion‐conducting COFs are emphasized. Moreover, a systematic overview of the recent progress in the development of ion‐conducting COFs serving as electrodes, separators, solid electrolytes, and artificial interphase materials for diverse battery applications, such as metal‐ion batteries, lithium metal batteries, lithium–sulfur batteries, lithium–CO2batteries, zinc–air batteries, etc., is proposed. This review is expected to provide theoretical guidance for design of novel kinds of ionic conductor bearing intrinsic framework structures and to boost further research enthusiasm for ion‐conducting COFs in rechargeable batteries.
Simultaneously Decreasing the Bandgap and Voc Loss in Efficient Ternary Organic Solar Cells
Authors: Yan Yangjun , Zhang Yajie , Liu Yanan , Shi Yanan , Qiu Dingding , Deng Dan , Zhang Jianqi , Wang Boxin , Adil Muhammad Abdullah , Amin Kamran , Memon Waqar Ali , Wang Mengni , Zhou Huiqiong , Zhang Xinghua , Wei Zhixiang 
Published: April 2022

AbstractTernary architecture is a promising strategy to further boost the performance of organic solar cells (OSCs). Reducing the bandgap of the active layer materials not only widens the absorption wavelength range and enhances the short‐circuit current (Jsc) of the OSC, but also decreases the open‐circuit voltage (Voc) of the device, leading to a trade‐off situation for the optimization of the material system. Herein, a small‐molecule donor BTID‐2F, featuring a narrower bandgap than that of PM6, is introduced into a PM6:Y6 based system. The redshift in external quantum efficiency indicates the narrower bandgap and better aggregation in the ternary blends than those of binary ones. Interestingly, lower energy disorder and energy loss are also attained for the ternary devices, leading to higher Voc. Furthermore, owing to the suppressed recombination and morphological optimization, a simultaneous enhancement in the Jsc and fill factor boosts the power conversion efficiency (PCE) of ternary OSC to 17.9% compared to 16.62% for the binary device. Likewise, replacing the acceptor with the L8‐BO molecule further improves the ternary PCE to 18.52%. This work indicates an emerging approach for fabricating high‐performance ternary OSCs with a decreased bandgap and increased Voc.
General Synthesis of Transition‐Metal‐Based Carbon‐Group Intermetallic Catalysts for Efficient Electrocatalytic Hydrogen Evolution in Wide pH Range
Authors: Pu Zonghua , Liu Tingting , Zhang Gaixia , Chen Zhangsen , Li Dong‐Sheng , Chen Ning , Chen Weifeng , Chen Zhangxing , Sun Shuhui 
Published: April 2022

AbstractAlloying is a well‐accepted strategy for modulating the electronic structures of catalyst materials. Compared to disordered solid‐solution alloys, intermetallic compounds feature ordered atomic arrangements and provide a unique platform with a rich and diverse resource to study the relationships among chemical composition, atomic structure, electronic structure, and properties. Unfortunately, it is still challenging to synthesize the nanostructures of intermetallic compounds for catalysis research. In this study, a series of intermetallic silicides (PtSi, RhSi, Ru2Si3, IrSi), germanide (Ru2Ge3), and stannides (Ru3Sn7, IrSn2, PdSn3, PdSn2) are rationally designed and constructed through a facile molten‐salt‐assisted route. As an example, the PtSi not only shows highly desirable electrocatalytic properties for the hydrogen evolution reaction (HER) with low overpotentials of 22, 38, and 66 mV at a current density of 10 mA cm‐2 in acidic, alkaline, and neutral media, respectively, but exhibits superior durability, as well as >97% faradic efficiency. The theoretical calculations suggest that the introduction of Si to Pt could weaken the binding energy between Pt and H atoms, which further facilitates the hydrogen generation during the HER process. Further, the findings inspired the authors to develop other kinds of metal‐based carbon‐group intermetallic phases with excellent activity in the HER and beyond.