bluuebunny/crossref_metadata_2025_split huggingface dataset:
Composition‐Dependent Magnetic Ordering in Freestanding 2D Non‐van der Waals Cr2TexSe3−x Crystals
Authors: Liu Qinxi , Wang Yanxia , Zhao Ying , Guo Yu , Jiang Xue , Zhao Jijun 
Published: April 2022

AbstractSince the confirmation of long‐range magnetic ordering in 2D materials, much effort has been devoted to finding more 2D magnetic materials with high Curie temperature (TC) and tunable physical properties. Most of the 2D magnets realized to date are based on van der Waals (vdW) materials, but recently synthesized 2D non‐vdW ultrathin materials have revealed an alternative direction for the discovery of novel 2D magnets. In this paper, a family of 2D non‐vdW Cr2TexSe3−x compounds is proposed. All Cr2TexSe3−x compounds are predicted to be energetically favorable and air stable, suggesting experimental feasibility, and long‐term stability. Compared to other non‐vdW materials, Cr2TexSe3−x compounds have superior oxidation resistance. Moreover, they exhibit obvious composition‐dependent magnetic ordering, which originates from the competition between interlayer direct antiferromagnetic exchange and ferromagnetic superexchange. Among them, half‐metals Cr2Te3 and Cr2TeSe2 exhibit robust ferromagnetism with high TC values of 396 and 261 K, respectively. Additionally, 2D Cr2TeSe2 shows a sizable anomalous Hall conductivity of 6237 Ω cm−1. The present results enrich the database of 2D non‐vdW magnets and provide fundamental understanding about the composition‐induced magnetic phase transition, which may be of use in spintronic applications.
Ligand‐Anchoring‐Induced Oriented Crystal Growth for High‐Efficiency Lead‐Tin Perovskite Solar Cells
Authors: Yan Nan , Ren Xiaodong , Fang Zhimin , Jiang Xiaofen , Xu Zhuo , Zhang Lu , Ren Shengqiang , Jia Lingbo , Zhang Jingru , Du Yachao , Zhao Dewei , Zhao Kui , Yang Shangfeng , Liu Shengzhong (Frank) 
Published: April 2022

AbstractThe narrow bandgap (≈1.2 eV) Pb‐Sn alloyed perovskite solar cell is a promising bottom component cell for all‐perovskite tandem devices that are expected to offer higher efficiency than the theoretical Shockley–Queisser limit of the single‐junction solar cells. The density functional theory (DFT) study reveals that the Pb‐Sn perovskite film with the (100) orientation would render significantly reduced trap density, which is a critical figure‐of‐merit for perovskite device performance. Alkyl diamine is therefore designed to first anchor onto the surface as a nucleation agent to modulate the Pb‐Sn perovskite growth to proceed preferentially along with the (100) orientation. It is observed that the diamine cations not only effectively induced the crystal growth at the nucleation stage, but also remained on the crystal surface to eventually passivate the resultant perovskite film. As a result, the diamine‐based films show (100) preferred orientation with superior optoelectronic properties, as predicted by the DFT investigation. Consequently, the champion power conversion efficiency of 20.03% is achieved, one of the highest for this type of device. These findings provide a practicable strategy to theoretically design surface nucleation to induce preferential growth of perovskite material for better optoelectronic performance.
In‐Memory Computing using Memristor Arrays with Ultrathin 2D PdSeOx/PdSe2 Heterostructure
Authors: Li Yesheng , Chen Shuai , Yu Zhigen , Li Sifan , Xiong Yao , Pam Mer‐Er , Zhang Yong‐Wei , Ang Kah‐Wee 
Published: April 2022

AbstractIn‐memory computing based on memristor arrays holds promise to address the speed and energy issues of the classical von Neumann computing system. However, the stochasticity of ions’ transport in conventional oxide‐based memristors imposes severe intrinsic variability, which compromises learning accuracy and hinders the implementation of neural network hardware accelerators. Here, these challenges are addressed using a low‐voltage memristor array based on an ultrathin PdSeOx/PdSe2 heterostructure switching medium realized by a controllable ultraviolet (UV)–ozone treatment. A distinctively different ions’ transport mechanism is revealed in the heterostructure that can confine the formation of conductive filaments, leading to a remarkable uniform switching with low set and reset voltage variability values of 4.8% and −3.6%, respectively. Moreover, convolutional image processing is further implemented using various crossbar kernels that achieve a high recognition accuracy of ≈93.4% due to the highly linear and symmetric analog weight update as well as multiple conductance states, manifesting its potential beyond von Neumann computing.
Experimental Demonstration of Dark‐State Metasurface Laser with Controllable Radiative Coupling
Authors: Droulias Sotiris , Mohamed Sughra , Rekola Heikki , Hakala Tommi K. , Soukoulis Costas M. , Koschny Thomas 
Published: April 2022

AbstractLasing at the nanoscale using plasmonic nanoparticles offers the prospect of strong field concentration, hence strong light−matter interactions, low lasing thresholds, and ultrafast operation. However plasmonic nanoparticles suffer from high dissipative and radiative losses, the latter being rigidly tied to the shape of the nanoparticles and symmetry of their localized plasmon resonant modes. To overcome this limitation, recent theoretical work proposes using direct lasing into dark surface states to construct lasers that conceptually allow for independent implementation of the lasing state and its coherent radiation output. Here, lasing in dark resonant states of a metasurface laser and controllable coherent outcoupling of radiation with the aid of a tightly coupled, weakly radiative metasurface are demonstrated experimentally. The laser is implemented using a thin, low‐loss dielectric film supporting surface mode‐like dark dielectric bound states and the coupling metasurface is composed of small non‐resonant scatterers that controllably but weakly perturb the dark mode and turn it partially bright. Distinct far‐field signatures that can be observed experimentally for both dark and bright lasing are identified and demonstrated. The scalability of this design, here implemented for lasing in the near‐infrared, enables large‐aperture ultra‐thin coherent light sources with controllable emission from the infrared to the visible.
Self‐Trapped Exciton Emission with High Thermal Stability in Antimony‐Doped Hybrid Manganese Chloride
Authors: Li Chen , Luo Zhishan , Liu Yulian , Wei Yi , He Xin , Chen Zhongwei , Zhang Liming , Chen Yulin , Wang Wei , Liu Yejing , Chang Xiaoyong , Quan Zewei 
Published: April 2022

AbstractSelf‐trapped exciton (STE) emission in some metal halides has acquired great interest in recent years due to their broadband emission, large Stokes shift, and high photoluminescence quantum yield (PLQY). However, severe thermal quenching of STE emission is still a critical bottleneck that impedes their application in light‐emitting field. Herein, a novel zero‐dimensional hybrid metal halide, Sb3+‐doped (BTPP)2MnCl4 (BTPP = Benzyltriphenylphosphonium), is accordingly synthesized to address this issue. This compound exhibits excitation‐dependent dual emissions including STE emission of antimony chloride tetrahedron and 4T1‐6A1 transition of Mn2+ ions, resulting in a tunable emission color from green to orange. More importantly, the PL intensity of STE emission at 420 K in (BTPP)2MnCl4:2.0%Sb can maintain 72.5% of its ambient value, which is superior to current organic–inorganic hybrid metal halides. Temperature‐dependent and time‐resolved spectroscopy results suggest that the high thermal stability of STE emission originates from the efficient energy transfer from (BTPP)2MnCl4 host to antimony chloride tetrahedron, which promotes the formation of STEs. The white light‐emitting diode based on this (BTPP)2MnCl4:2.0%Sb phosphor exhibits high‐performance warm white light with a correlated color temperature of 4827 K and a color rendering index of 88.7, which demonstrates its potential in solid‐state lighting applications.
Low Thresholds and Tunable Modes in Plasmon‐Assisted Perovskite Microlasers
Authors: Li Ziwei , Wang Yajuan , Li Lihui , Xie Yunfei , He Chenglin , Xu Pan , Zhang Xuehong , Huang Jianhua , Huang Ming , Yang Liuli , Du Juan , Zhu Xiaoli , Pan Anlian 
Published: April 2022

AbstractLow‐dimensional perovskite structures are ideal materials for nano/microlasers owing to their excellent optical gain properties and high emission efficiency. But it is still a challenge to achieve single‐mode and tunable lasing behaviors in micro‐scale perovskite, especially showing ultralow thresholds in tens of µJ cm−2. In this work, CsPbBr3/Ag hemispheroids have been synthesized in a designed chemical vapor deposition (CVD) process. Benefiting from the whispering gallery resonance mode and plasmon‐enhanced light–matter interactions in well‐confined hybrid cavities, the CsPbBr3/Ag plasmonic microlasers exhibit low pump thresholds down to 35–51 µJ cm−2. Interestingly, single‐mode and two‐mode lasing behaviors are determined by the morphology of plasmonic Ag nanostructures, and lasing modes could be selectively tuned by increasing the pump fluence accompanying with dynamic competitions of photonic and plasmonic modes. Simulations of electromagnetic field have been plotted to show near‐field resonant modes for a comprehensive understanding of plasmon‐assisted lasing. These results not only provide a solution to fabricate low‐threshold plasmonic microlasers, but also advocate the prospect of all‐inorganic perovskite nanostructures as promising candidates for on‐chip integrated light sources.
A Simple Fused‐Ring Acceptor toward High‐Sensitivity Binary Near‐Infrared Photodetector
Authors: Deng Suinan , Zhang Lianjie , Zheng Jingbo , Li Ji , Lei Shuyi , Wu Zuhao , Yang Dezhi , Ma Dongge , Chen Junwu 
Published: April 2022

AbstractNear‐infrared organic photodetector of high sensitivity is essential for various remote sensing applications. In this work, a new simple fused‐ring acceptor “NTQ” with a narrow optical bandgap of 1.11 eV is designed and synthesized to demonstrate the first near‐infrared organic photodetector example featuring a non‐fused A‐D‐A′‐D‐A molecular framework. The optimized geometry of NTQ exhibits high planarity and the relevant pristine film shows high electron mobility of 1.51 × 10−4 cm2 V−1 s−1. Moreover, the PTB7‐Th:NTQ blend can achieve relatively high and balanced hole/electron mobility even though the photo‐active layer thickness is up to 320 nm. The NTQ‐based devices exhibit high shot‐noise‐limited specific detectivity (Dsh*) of 3.72 × 1012 Jones at 1000 nm under the bias of –0.1 V and a board Dsh* response over 1012 Jones from 320 to 1070 nm. Furthermore, the device exhibits fast averaged rise and fall times of 2.02 and 2.42 µs, respectively. This work demonstrates that molecular engineering with the A‐D‐A′‐D‐A framework can endow near‐infrared photo‐active materials with high‐performing photodetectors for wide applications.
Ionic Combisomes: A New Class of Biomimetic Vesicles to Fuse with Life
Authors: Wagner Anna M. , Quandt Jonas , Söder Dominik , Garay‐Sarmiento Manuela , Joseph Anton , Petrovskii Vladislav S. , Witzdam Lena , Hammoor Thomas , Steitz Philipp , Haraszti Tamás , Potemkin Igor I. , Kostina Nina Yu. , Herrmann Andreas , Rodriguez‐Emmenegger Cesar 
Published: April 2022

AbstractThe construction of biomembranes that faithfully capture the properties and dynamic functions of cell membranes remains a challenge in the development of synthetic cells and their application. Here a new concept for synthetic cell membranes based on the self‐assembly of amphiphilic comb polymers into vesicles, termed ionic combisomes (i‐combisomes) is introduced. These combs consist of a polyzwitterionic backbone to which hydrophobic tails are linked by electrostatic interactions. Using a range of microscopies and molecular simulations, the self‐assembly of a library of combs in water is screened. It is discovered that the hydrophobic tails form the membrane's core and force the backbone into a rod conformation with nematic‐like ordering confined to the interface with water. This particular organization resulted in membranes that combine the stability of classic polymersomes with the biomimetic thickness, flexibility, and lateral mobility of liposomes. Such unparalleled matching of biophysical properties and the ability to locally reconfigure the molecular topology of its constituents enable the harboring of functional components of natural membranes and fusion with living bacteria to “hijack” their periphery. This provides an almost inexhaustible palette to design the chemical and biological makeup of the i‐combisomes membrane resulting in a powerful platform for fundamental studies and technological applications.
Suppressed Dissolution and Enhanced Desolvation in Core–Shell MoO3@TiO2 Nanorods as a High‐Rate and Long‐Life Anode Material for Proton Batteries
Authors: Wang Chenggang , Zhao Shunshun , Song Xinxin , Wang Nana , Peng Huili , Su Jie , Zeng Suyuan , Xu Xijin , Yang Jian 
Published: April 2022

AbstractRechargeable proton batteries are attractive, because protons as a charge carrier have a small ionic radius, a lightest mass, and a high abundance on Earth. MoO3, as one of the promising anode materials in rechargeable proton batteries, suffers from the severe dissolution in acidic electrolytes upon cycling. Here, an ultrathin TiO2 shell is coated on MoO3 nanorods to suppress the detrimental dissolution during cycles. TiO2 also lowers the desolvation energy of hydrated protons, promoting the reaction kinetics. As a result, MoO3@TiO2 displays outstanding electrochemical performance, especially at high rates (171.0 mAh g−1 at 30 A g−1) and at high mass loadings (17 mAh cm−2 at 104 mg cm−2). The full cells constructed with MnO2 deliver an energy density up to 252.9 Wh kg−1 and a power density of 18.3 kW kg−1. Ex situ X‐ray diffraction and X‐ray photoelectron spectroscopy indicate that protons shuttle back and forth between different monoclinic phases. The results offer a simple way to achieve the high performance of MoO3 in a diluted acidic solution.
Enhancement of Piezoelectricity in Dimensionally Engineered Metal‐Halide Perovskites Induced by Deep Level Defects
Authors: Heo Sung , Lee Do Yoon , Lee Dongwook , Lee Yonghui , Kim Kihong , Yun Hyun‐Sung , Paik Min Jae , Shin Tae Joo , Oh Hyeon Seung , Shin Taeho , Kim Jaekyung , Kim Seong Heon , Seok Sang Il , Nazeeruddin MohammadKhaja 
Published: April 2022

AbstractMetal halide perovskite solar cells (PSCs) have been considered to be one of the most promising next‐generation energy harvesters over the past decades due to remarkably rapid improvement of power conversion efficiency in photovoltaics. However, energy harvesters based on the solar energy source have an intrinsic environment limitation for indoor applications. A feasible solution to the limitation is to add non‐solar energy harvesting functions to the solar energy harvesters. Here, the piezoelectric properties of two types of metal halide PSCs are investigated, the 3D only and the 3D/2D structure, showing PCEs of 21.3% and 23.2%, respectively. Piezo‐response force microscopy and synchrotron‐based X‐ray diffraction demonstrate that both types of PSC sample have piezoelectricity. Remarkably, the 3D/2D structure has considerably higher piezoelectric amplitude than the 3D‐only. The deep level transient spectroscopy results reveal that the enhancement in the piezoelectricity of the 3D/2D structure originates from PbBr defects. This study unravels the role of defects in the piezoelectricity of metal halide PSCs and provides a direction to develop the multi‐function energy harvesters based on the PSCs.
Defect Healing in FAPb(I1‐xBrx)3 Perovskites: Multifunctional Fluorinated Sulfonate Surfactant Anchoring Enables >21% Modules with Improved Operation Stability
Authors: Zhu Jun , Qian Yongteng , Li Zijia , Gong Oh Yeong , An Zongfu , Liu Qing , Choi Jin Hyuk , Guo He , Yoo Pil Jin , Kim Dong Hoe , Ahn Tae Kyu , Han Gill Sang , Jung Hyun Suk 
Published: April 2022

AbstractFormamidinium lead triiodide‐based perovskite solar cells have emerged as one of the most promising candidates that can be potentially used to develop photovoltaic technologies in the future. The commercial use of perovskite solar cell modules (PSCMs) is limited as it is challenging to fabricate high‐quality, efficient, and stable large‐area perovskite light‐absorbing films. Heptadecafluorooctanesulfonic acid tetraethylammonium salt (HFSTT), containing fluorinated long alkyl chains as hydrophobic tails and sulfonic acid groups (SO3−) as hydrophilic heads, which exhibit a great synergistic potential in large‐area film uniform fabrication, crystallization orientation modulation, defect passivation, and device operation stability enhancement, are introduced. The HFSTT‐modified films exhibit a prominent (100) orientation and lower trap‐state density as well as enhanced carrier mobilities and diffusion lengths, facilitating a champion unit device with an impressive power conversion efficiency (PCE) of 23.88% (0.14 cm2) and 22.52% (1 cm2) with a low voltage deficit around 0.341 V. The unencapsulated device retains ≈70% of its initial efficiency after 1000 h under heat damping test (60 °C and ≈60% RH). Moreover, the PSCMs exhibiting PCEs of 21.05% (with notable fill factor 0.79) and 18.27% are characterized by the active areas of 25.98 and 60.68 cm2, respectively.
Anion‐Directed Regulation of Structures and Luminescence of Heterometallic Clusters
Authors: Li Jiao‐Jiao , Liu Chun‐Yu , Guan Zong‐Jie , Lei Zhen , Wang Quan‐Ming 
Published: April 2022

AbstractAnions have been used to regulate the structures and luminescence of heterometallic clusters. Introducing ClO4− into orange‐emissive, butterfly‐like [(C)(Au‐PPhpy2)6Ag4](BF4)6 (1, PPhpy2=bis(2‐pyridyl)phenylphosphine) leads to the formation of red‐emissive [(C)(Au‐PPhpy2)6Ag5(ClO4)3](ClO4)4 (2) with a novel trigonal bipyramidal structure; employing PhCO2− gives yellow‐emissive, hexagram‐like [(C)(Au‐PPhpy2)6Ag6(PhCO2)3](BF4)5 (3). Notably, 1 exhibits weak luminescence in CH2Cl2/CH3OH=1 : 1 (v : v) with a quantum yield (QY) of 0.05, whereas it was dramatically increased to 0.49 and 0.83 for 2 and 3, respectively. Theoretical calculation confirms that the involvement of anions in the electronic structures is responsible for the shifts of emission. The high QYs of 2 and 3 are attributed to the protection provided by ligands and anions. This work demonstrates that anions may serve as an extra designable factor beyond just counterions for functional metal clusters.
Solution‐processed AIEgen NIR OLEDs with EQE Approaching 15 %
Authors: Yu Ying , Xing Hao , Liu Dan , Zhao Mengying , Sung Herman H.‐Y. , Williams Ian D. , Lam Jacky W. Y. , Xie Guohua , Zhao Zheng , Tang Ben Zhong 
Published: April 2022

AbstractOrganic near‐infrared (NIR) luminogens have attracted intensive attention considering their vast potential applications in areas like bioimaging, organic light‐emitting diodes (OLEDs) and night‐vision telecommunication. However, organic NIR luminogens with high solid quantum efficiencies are scarce, limiting their applications. Here, we reported an electron‐deficient acceptor, BSM, based on dithiafulvalene and benzothiadiazole, which could work as a strong acceptor to produce highly efficient NIR emitters with aggregation‐induced emission (AIE) property. One of the AIEgens, TBSMCN emitted at 820 nm with a solid quantum yield of 10.7 %. When applied to solution‐processed OLEDs, an outstanding external quantum efficiency (EQE) of 9.4 % was achieved with a peak wavelength at 728 nm. Moreover, its non‐doped device could achieve an extraordinary EQE of 2.2 % peaking at 804 nm. In the further optimized configuration, when an extra sensitizer was added to harvest triplet excitons, the EQE unprecedentedly soared up to 14.3 % with a peak wavelength of 750 nm.
Modular Synthesis of Cyclopropane‐Fused N‐Heterocycles Enabled by Underexplored Diazo Reagents
Authors: Richter Matthieu J. R. , Zécri Frédéric J. , Briner Karin , Schreiber Stuart L. 
Published: April 2022

AbstractCyclopropane‐fused N‐heterocycles are featured in various biologically active compounds and represent attractive scaffolds in medicinal chemistry. However, synthesis routes to access structurally and functionally diverse cyclopropane‐fused N‐heterocycles remain underexplored. Leveraging novel α‐diazo acylating agents, we report a general approach for the direct and modular synthesis of cyclopropane‐fused lactams from unsaturated amines. The operationally simple transformation, which proceeds through successive acylation, (3+2) cycloaddition and fragmentation, tolerates a broad range of functional groups and yields a wide spectrum of complex molecular scaffolds, including fused, bridged and spiro ring systems. We demonstrate the utility of this transformation in the concise syntheses of therapeutic agents milnaciprane and amitifadine.
Low temperature‐synthesized MgAl2O4:Eu3+ nanophosphors and their structural validations using density functional theory: photoluminescence, photocatalytic, and electrochemical properties for multifunctional applications
Authors: S. N. Manjula , M. Chandrasekhar , Naik Ramachandra , V. Revathi , H. Nagabhushana , C. R. Ravikumar , B. S. Surendra , A. Naveen kumar 
Published: April 2022

AbstractA low temperature‐assisted and oxalyl dihydrazide fuel‐induced combustion synthesized series of uncalcined MgAl2O4:Eu3+ nanophosphors showed an average crystallite size of ~20 nm, and bandgap energy (Eg) of 4.50–5.15 eV, and were validated using density functional theory and found to match closely with the experimental values. The photoluminescence characteristic emission peaks of Eu3+ ions were recorded between 480 and 680 nm. The nanophosphors excited at 392 nm showed f–f transitions assigned as 5D0→7FJ (J = 0, 1, 2, and 3). The optimized MgAl2O4 phosphors had Commission Internationale de l'Eclairage coordinates in the red region, a correlated colour temperature of 2060 K, and a colour purity of 98.83%. The estimated luminescence quantum efficiency (
) was observed to be ~63% using Judd–Ofelt analysis. Electrochemical and photocatalytic performance were explored and indicated its multifunctional applications. Therefore, MgAl2O4:Eu3+ nanophosphors could be used for the fabrication of light‐emitting diodes, industrial dye degradation, and as electrodes for supercapacitor applications.
Metabonomics study on the hepatoprotective effect mechanism of polysaccharides from different processed products of Angelica sinensis on layer chickens based on UPLC–Q/TOF–MS/MS, multivariate statistical analysis and conjoint analysis
Authors: Wu Fan‐lin , Hu Yong‐hao , Ji Peng , Li Chen‐chen , He Jian 
Published: April 2022

AbstractChicken colibacillosis is one of the most severe diseases in the poultry industry. Ceftiofur sodium (CS) is often used to treat it in clinical practice and lipopolysaccharide (LPS) accumulates in the chicken's body. Previous experimental studies found that CS combined with LPS could induce liver injury in layer chickens, and polysaccharides from charred Angelica sinensis(CASP) had a better hepatoprotective effect than polysaccharides from unprocessed Angelica sinensis(UASP). However, the intervention mechanism was unclear. Thus, UPLC–Q/TOF–MS/MS‐based metabonomics and transcriptomics were used in this study to clarify the hepatoprotective effect mechanism of CASP and UASP in layer chickens. Transcriptomics and enzyme‐linked immunosorbent assay were used for biological verification of some critical mutual metabolic pathways screened with metabonomics. The comprehensive analysis results showed that in a layer chicken liver injury model built with LPS and CS, 12 critical metabolic pathways were disturbed, involving 10 important differential metabolites. The hepatoprotective effect mechanism of CASP is related to the arachidonic acid metabolism and mTOR signaling pathways, involving nine important differential metabolites. In contrast, the hepatoprotective effect mechanism of UASP is related to the arachidonic acid metabolism pathway, involving six important differential metabolites.