bluuebunny/crossref_metadata_2025_split huggingface dataset:
Atomic and Electronic Reconstruction in Defective 0D Molybdenum Carbide Heterostructure for Regulating Lower‐Frequency Microwaves
Authors: Yuan Mingyue , Lv Hualiang , Cheng Hanwen , Zhao Biao , Chen Guanyu , Zhang Jincang , Che Renchao 
Published: May 2023

Abstract0D nanomaterials with high efficiency of atom utilization possess extraordinary tunability over bulk materials. Precise reconstruction of atoms in a 0D nanoparticle toward tuning of crystalline phases and defects is highly desirable but remains a grand challenge. In this study, a crystallization rate‐controlled strategy is reported to achieve controllable reconstruction of atoms in situ, which inducts a series of monodisperse 0D molybdenum carbide nanoparticles (MoxC NP) that anchor on a carbon matrix with adjustable crystalline phases and atom vacancies. Aberration‐corrected transmission electron microscopy, electron paramagnetic resonance technique, density functional theory calculation, and electron holography jointly reveal the atomic reconstruction process and confirm its remarkable effects of optimizing the local electronic states and enhancing the heterointerface interactions. As a result, the optimized MoC/Mo2C heterostructure on the carbon matrix is shown to enable the promoted dielectric response and generate more than 90% absorption of lower‐frequency microwaves (the current 5th‐generation communication band). The control of atomic reconstruction may provide an effective pathway for unlocking tunable dielectric properties of 0D nanomaterials toward various technological applications.
Single‐Step 3D Printing of Micro‐Optics with Adjustable Refractive Index by Ultrafast Laser Nanolithography
Authors: Gonzalez‐Hernandez D. , Sanchez‐Padilla B. , Gailevičius D. , Thodika S. Chandran , Juodkazis S. , Brasselet E. , Malinauskas M. 
Published: May 2023

AbstractLaser exposure defines voxel's dimensions as essential building blocks in direct write 3D nanolithography. However, the exposure conditions not only influence the size of the produced features but also their optical properties. This empowers the realization of an adjustable refractive index out of single material by varying the writing strategy while preserving laser 3D nanolithography's flexibility in geometry and high resolution. Here, the refractive index for the 450–1600 nm spectral range of the micro‐optics out of SZ2080 hybrid polymer is systematically studied by applying ray and wave optics approaches followed by optical resolution analysis. It reveals the exact value of the laser‐printed components instead of the determination assessed by other techniques measuring thin films or bulky volumes of the investigated substance. The studied micro‐lenses are of below 100 µm in dimensions and a clear distinction in their performance on low and high exposure doses is found by analyzing it in all different approaches and validating using different lithography setups. Findings reveal the complexity of the refractive index of the 3D micro‐optics which is influenced by the material density and morphology. A route for freedom in 3D printing shape and refractive index can be realized by the technological optimization of delicate exposure control in ultrafast laser nanolithography.
Near‐Infrared I/II Nanophosphors with Cr3+/Ni2+ Energy Transfer for Bioimaging
Authors: Satpathy Aishwarya , Huang Wen‐Tse , Chan Ming‐Hsien , Su Ting‐Yi , Kamiński Mikołaj , Majewska Natalia , Mahlik Sebastian , Leniec Grzegorz , Kaczmarek Sławomir M. , Hsiao Michael , Liu Ru‐Shi 
Published: May 2023

AbstractIn the biomedical field, the use of fluorescence imaging in the second near‐infrared (NIR‐II) region is growing rapidly because it imparts the advantages of reduced autofluorescence and low photon scattering. The advantage of reduced scattering is that it increases penetration depth in vivo and improves imaging clarity. Herein, this work uses mesoporous silica, a biocompatible template that can be easily modified, functionalized, and loaded with drugs for use in several bioapplications. The ZnGa2O4 spinel oxide system is integrated into mesoporous silica and different concentrations of Cr3+ and Ni2+ are loaded in octahedral sites to obtain the highest emission intensity in the NIR‐II region at 1285 nm via energy transfer from Cr3+ to Ni2+. Given that only a few nanophosphor systems with emission in the NIR‐II region are available, this work attempts to establish emission in the NIR‐II and NIR‐I regions to obtain images in vivo with an increased penetration depth to 5 mm and improved clarity for bioimaging purposes. This system will open the door for biomedical research on other NIR‐II nanophosphors.
Composition‐Dependent Ferroelectricity of LuFeO3 Orthoferrite Thin Films
Authors: Cho Eunsoo , Klyukin Konstantin , Su Tingyu , Kaczmarek Allison , Ross Caroline A. 
Published: May 2023

AbstractThis work characterizes the structural, magnetic, and ferroelectric properties of epitaxial LuFeO3 orthoferrite thin films with different Lu/Fe ratios. LuFeO3 thin films are grown by pulsed laser deposition on SrTiO3 substrates with Lu/Fe ratio ranging from 0.6 to 1.5. LuFeO3 is antiferromagnetic with a weak canted moment perpendicular to the film plane. Piezoresponse force microscopy imaging and switching spectroscopy reveal room temperature ferroelectricity in Lu‐rich and Fe‐rich films, whereas the stoichiometric film shows little polarization. Ferroelectricity in Lu‐rich films is present for a range of deposition conditions and crystallographic orientations. Positive‐up‐negative‐down ferroelectric measurements on a Lu‐rich film yield ≈13 µC cm−2 of switchable polarization, although the film also shows electrical leakage. The ferroelectric response is attributed to antisite defects analogous to that of Y‐rich YFeO3, yielding multiferroicity via defect engineering in a rare earth orthoferrite.
Passivation Improvement of Poly‐SiOx Based TOPCon Contacts by Thermal Annealing in a Water Vapor Atmosphere: Mechanism Exploration and Application Research
Authors: Zhou Jiakai , Wang Guichang , Su Xianglin , Ren Huizhi , Zeng Yuheng , Liu Wei , Zhang Bike , Zhang Xiaodan , Zhao Ying , Hou Guofu 
Published: May 2023

AbstractPost‐treatment techniques of tunnel oxide passivated contact (TOPCon) structure are universally implemented via executing an additional hydrogenation process to optimize the passivation performance. However, the underlying physical mechanism and which method is most applicable are still being investigated. Herein, the effectiveness of thermal annealing in water vapor and N2 atmosphere is studied, which is both environmentally friendly and easy to operate. It is demonstrated that compared to other common hydrogenation techniques, the wet N2 outperforms in improving the passivation performance, which can be attributed to the neutralization of internal defects in poly‐Si and the optimization of structural densities, and interestingly, this gain effect is amplified when this contact is doped with oxygen impurity. A power conversion efficiency of 22.62% is achieved using this technology which verifies its reliability and applicability. A loss analysis based on numerical simulations, outlining ways to achieve higher conversion efficiency and highlighting the great potential of this technology is also provided. Extensive experiments and first‐principles calculations based on density‐functional theory are conducted to clarify the underlying dynamics, including the surface adsorption process and the potentiation mechanisms, revealing that passivation and neutralization of hydrogen atoms couple with the compactness optimization of the structure.
Single‐Crystal Seeds Inducing the Crystallization of High‐Performance α‐FAPbI3 for Efficient Perovskite Solar Cells
Authors: He Jun , Li Dewang , Liu Hongli , Xiang Junyan , Bai Jiaxv , Ren Yuting , Wang Zhongyue , Xia Meng , Yin Xunjie , Yuan Longfei , Zhang Fei , Wang Shirong 
Published: May 2023

Abstractα‐phase formamidine lead iodine (α‐FAPbI3) as a competitive candidate to pursue high‐performance perovskite solar cells (PSCs) suffers from the weakness of random nucleation and disordered growth in chasing high‐grade polycrystalline films. Here, single‐crystal seeds crystallization (SCSC) method is proposed to obtain high‐quality α‐FAPbI3 perovskite films for the first time. Six single‐crystals seeds (CsPbBr3, CsPbI3, FAPbBr3, FAPbI3, MAPbBr3, and MAPbI3) are employed to regulate α‐FAPbI3 perovskite crystallization. These seeds act as nucleation sites and allow the perovskite to grow directly. The rapid crystallization significantly improves the crystallinity of perovskite films with uniform morphology, large grain size, and less defects. Of particular note, FAPbBr3 seed prefers to grow α‐FAPbI3 epitaxially from FAPbBr3@PbI2 heterostructure through a halogen anion exchange process. The average grain size of FAPbBr3‐perovskite film is boosted to 2.6 µm, and the trap density reduced by 11 times. The resultant FAPbBr3‐PSCs achieve a maximum power conversion efficiency (PCE) of 23.84% with a high open‐circuit voltage of 1.18 V. The unencapsulated PSC retains 91% of the initial PCE after 3000 h of storage at ≈30–50% relative humidity and preserves 98.5% of the original value after 155 h illumination with maximum power point tracking.
Origins and Suppression of Sn(II)/Sn(IV) Oxidation in Tin Halide Perovskite Solar Cells
Authors: Liu Junke , Yao Huanhuan , Wang Shurong , Wu Cheng , Ding Liming , Hao Feng 
Published: May 2023

AbstractTin halide perovskite solar cells (TPSCs) have attracted aggressive research interest in the emerging perovskite photovoltaic devices due to their eco‐friendliness as compared to their lead halide counterparts. However, the easy Sn(II)/Sn(IV) oxidation of tin perovskites is a serious impediment to the development of TPSCs. Therefore, a clear understanding of the mechanisms, origins, and effects of the oxidation is essential to further boost the performance and stability of TPSCs. Herein, a systematic overview of the physicochemical process for the Sn(II)/Sn(IV) oxidation in TPSCs from the starting precursors to the final devices is presented. In addition, the effects of oxidation on the performance of TPSCs are then reviewed from crystal structure, defect chemistry, and optoelectronic properties. More importantly, the key issues to suppress the Sn(II)/Sn(IV) oxidation are seriously discussed on the basis of the reported antioxidation strategies. Finally, the challenges and outlooks toward TPSCs with higher power conversion efficiency and stability are proposed.
Managing cover crop C:N ratio and subsurface‐banded poultry litter rate for optimal corn yields
Authors: Mirsky Steven B. , Davis Brian W. , Poffenbarger Hanna , Cavigelli Michel A. , Maul Jude E. , Schomberg Harry , Spargo John T. , Thapa Resham 
Published: May 2023

AbstractCover crops can be used to provide some of the nitrogen (N) needs of a cash crop to complement mineral fertilizers or manure, but there has yet been limited work to describe corn (Zea mays L.) yield as a function of cover crop quality and N inputs. We investigated the response of corn yield to gradients of both preceding cover crop C:N ratio and poultry litter (PL) application rates in Beltsville, MD during 2012–2014. To achieve different C:N ratios of the cover crops, hairy vetch (Vicia villosa Roth. "Groff") and cereal rye (Secale cereale L. "Aroostook") were seeded in a replacement series of six seeding rate proportions, resulting in shoot C:N ratios of 9.2:1 to 152:1 across years. For each hairy vetch/cereal rye sown proportions, PL was side‐dressed at corn V5–V8 stage in subsurface bands (SSB) at four targeted rates: Zero, P‐based (67 kg plant available nitrogen [PAN] ha−1), N‐based (135 kg PAN ha−1), and excess N and P (269 kg PAN ha−1). We found that corn yield followed a linear‐plateau relationship across these two dimensions. Within the linear region, each unit increase in log‐scaled cover crop C:N ratio resulted in a yield decrease of 2.56 ± 0.26 Mg ha−1 at a given rate of SSB PL. To optimize corn yields, we describe a model where each unit increase in log‐scaled cover crop C:N ratio required an additional 45.9 ± 6.22 kg PAN ha−1 from SSB PL. Yields following winter fallow were typically intermediate to the range of yields observed following the gradient of cover crop C:N ratios. We did not find significant differences in corn yield responses when comparing SSB PL to at‐planting incorporated or broadcast PL; we also found no significant differences between SSB PL and surface‐banded urea ammonium nitrate. Taken together, our approach of modeling yield response across two dimensions can be widely used to guide adaptive N management in subsequent cash crops following winter cover crops, thereby balancing both economic and environmental objectives in cover crop‐based cropping systems.
Photo‐induced fusion of monodisperse polymer microspheres: A novel strategy for constructing topological microsphere clusters with improved stability
Authors: He Zixiang , Shen Su , Zhang Gong , Miao Tengfei , Cheng Xiaoxiao , Wang Zhao , Song Qingping , Zhang Wei 
Published: May 2023

AbstractThe preparation of monodisperse azobenzene (Azo) polymer microspheres by dispersion polymerization was reported. The photo‐induced fusion of Azo polymer microspheres was successfully achieved during the process of reversible trans‐cis‐trans photoisomerization of Azo units, and induced various unique “microsphere molecular” clusters or “microsphere polymers”. Encouraged by this interesting phenomenon, microsphere clusters of different topological structures were stabilized by the in situ acetal cross‐linking chemistry. The photo‐induced fusion polymerization of monodisperse polymer microspheres provides a new strategy for designing photo‐responsive clusters and allows for control over the mechanical properties of microspheres with high spatiotemporal resolution.
A machine learning framework for improving refinery production planning
Authors: Santander Omar , Kuppuraj Vidyashankar , Harrison Christopher A. , Baldea Michael 
Published: May 2023

AbstractWe propose a framework that relies on machine learning techniques and statistical modeling to enhance industrial production planning. Supervised learning is employed to improve the production planning model, whereas unsupervised learning is used to achieve economic synchronization between the process control and production planning layers. Finally, an upgraded production planning decision‐making structure is formulated where model uncertainty, the effect of process control/disturbances, and time correlation are considered. The proposed framework is implemented on an industry‐relevant refinery model demonstrating that the performance of the framework is substantially better than established industrial production planning techniques.
Construction of Chiral Quaternary Carbon Centers via Asymmetric Metal Carbene gem‐Dialkylation
Authors: Dong Shanliang , Hong Kemiao , Zhang Zhijing , Huang Jingjing , Xie Xiongda , Yuan Haoxuan , Hu Wenhao , Xu Xinfang 
Published: May 2023

AbstractThe catalytic asymmetric construction of all‐carbon quaternary stereocenters has received tremendous interest over the past decades, and numerous efficient protocols have been disclosed based on the formation of one C−C bond between two assembling reactants. However, the use of asymmetric multi‐component reactions that build two C−C bonds on the same carbonic center with concomitant assembly of quaternary stereocenters is rare and remains challenging. Herein, we disclose an enantioselective three‐component reaction of α‐diazo ketones with alkenes and 1,3,5‐triazines under dirhodium/chiral phosphoric acid cooperative catalysis, which leads to a practical and atom‐economic synthesis of poly‐functionalized chiral ketones that bear a α‐quaternary stereocenter in generally good to high yields with excellent enantioselectivities. In comparison to the previous method for the construction of tertiary and quaternary stereocenters via carbene gem‐difunctionalization reactions, this reaction features an unprecedented gem‐dialkylation process via sequential installation of two C−C bonds on the carbene center in one reaction, providing an essential complement to the asymmetric construction of all‐carbon quaternary stereocenters using common and readily available starting materials.
Dual Microenvironment Modulation of Pd Nanoparticles in Covalent Organic Frameworks for Semihydrogenation of Alkynes
Authors: Guo Mingchun , Meng Qiangqiang , Chen Wenyao , Meng Zheng , Gao Ming‐Liang , Li Qunxiang , Duan Xuezhi , Jiang Hai‐Long 
Published: May 2023

AbstractThe chemical microenvironment modulation of metal nanoparticles (NPs) holds promise for tackling the long‐lasting challenge of the trade‐off effect between activity and selectivity in catalysis. Herein, ultrafine PdCu2 NPs incorporated into covalent organic frameworks (COFs) with diverse groups on their pore walls have been fabricated for the semihydrogenation of alkynes. The Cu species, as the primary microenvironment of Pd active sites, greatly improves the selectivity. The functional groups as the secondary microenvironment around PdCu2 NPs effectively regulate the activity, in which PdCu2 NPs encapsulated in the COF bearing −CH3 groups exhibit the highest activity with >99 % conversion and 97 % selectivity. Both experimental and calculation results suggest that the functional group affects the electron‐donating ability of the COFs, which successively impacts the charge transfer between COFs and Pd sites, giving rise to a modulated Pd electronic state and excellent catalytic performance.
Luminescent transparent wood from a woody cellulosic template treated with an optical brightener
Authors: Chathoth Anish M. , Subba Rao Anantha N. , Nair Sreeja , Nagarajappa Giridhar B. , Pandey Krishna K. 
Published: May 2023

AbstractTransparent wood (TW) has attracted tremendous research interest due to its numerous adaptive features and applications as a sustainable material. The present study unveils a novel and simple method of preparing luminescent transparent wood (LTW) with good optical properties and UV‐blocking nature. LTW was prepared by pre‐treatment of lignin‐modified wood (LMW) with a commercial fabric brightener/optical brightener (Ranipal®) prior to polymer infiltration. The resultant LTW showed unique bluish photoluminescence upon UV light irradiation. Under normal light illumination, the LTW exhibited a brilliant bright/white appearance compared to untreated TW samples. LTW fabricated using 1 mm thick silver oak wood veneer exhibited high transparency (82%) and high haze (90%) with enhanced UV blocking property. The novel LTW fabrication method using a readily available and low‐cost fabric brightener has significantly reduced the overall process complexity of LTW preparation. The treatment with optical brightener had no adverse effect on the material quality. The fabricated LTW with good optical features can be an excellent bio‐based input material to the multifunctional smart material category.
Teledyne's high‐performance 4 K × 4 K infrared detectors
Authors: Zandian Majid , Piquette Eric , Farris Mark , Edwall Dennis , Daraselia Mikhail , Holland Eric , Fisher Lisa , Ives Derek , Gygax John , Bennett Chris , Waczynskib Augustyn , Corrales Liz , Auyeung John , Carmody Michael , Nguyen Chanh , Beletic James W. 
Published: May 2023

AbstractWe present the test results of science grade 4 K × 4 K HgCdTe H4RG‐15 and H4RG‐10 SWIR 2.5 μm sensor chip assemblies (SCAs). Teledyne's 4 K × 4 K, 15 and 10 μm pixel pitch infrared arrays are developed for space and era of Extremely Large Telescopes. They are currently being used in new instrumentation on existing telescopes and missions. We report data on H4RG‐15 and H4RG‐10 arrays that have achieved science grade performance. For H4RG‐15 and H4RG‐10: very low dark current (<0.005 e−/pixel/s at 80 K and <0.01 e−/pixel/s at 95 K), high quantum efficiency >70–90%, single CDS readout noise <20 e−, operability >99%, total crosstalk <1.5%, well capacity >70 ke−, and power dissipation less than 4 mW are routinely achieved. These SCAs are substrate‐removed HgCdTe, which simultaneously detect visible and infrared light, enabling spectrographs to use a single SCA for visible‐IR sensitivity. Larger focal plane arrays can be constructed by assembling mosaics of individual arrays.
Optimum threshold of the 4Kscore for biopsy in men with negative or indeterminate multiparametric magnetic resonance imaging
Authors: de Almeida S Ricardo , Thomas Jamie , Mason Matthew M. , Becerra Maria F. , Merhe Ali , Reis Isildinha M. , Kwon Deukwoo , Soodana‐Prakash Nachiketh , Tewari Ashutosh , Patel Vipul , Wagaskar Vinayak , Konety Badrinath , Kasraeian Ali , Czarniecki Stefan , Thoreson Gregory R. , Kim Eric H. , Swain Sanjaya , Parekh Dipen J. , Punnen Sanoj 
Published: May 2023

AbstractObjectiveThe study aims to identify the optimal 4Kscore thresholds to determine the need for a prostate biopsy when multiparametric magnetic resonance imaging (MRI) (mpMRI) is negative or indeterminate.Materials and methodsWe analysed retrospective data from men in eight different institutions who underwent an mpMRI, 4Kscore and prostate biopsy for evaluation of prostate cancer. We selected men with a negative (PIRADS ≤2) or indeterminate (PIRADS 3) mpMRI. 4Kscore values were categorized into ranges of 1–7, 8–19, 20–32 and greater than 32. We evaluated the proportion of men with grade group 2 or higher (GG2+) cancer in groups defined by PIRADS and 4Kscore. We also evaluated the number of biopsies avoided and GG2+ cancer missed in each group reported depend on 4Kscore cutoff points.ResultsAmong 1111 men who had an mpMRI, 4Kscore and biopsy, 625 of them had PIRADS ≤3 on mpMRI: 374 negative (PIRADS ≤2) and 251 indeterminate (PIRADS 3). In men with a negative mpMRI, we found a 4Kscore cut‐point of 33 resulted in an increased risk of GG2+ cancer on biopsy. In patients with an equivocal lesion on mpMRI, men with a 4Kscore cutoff ≥8 had a greater risk of GG2+ cancer on biopsy. Decision curve analysis supported the proposed cut‐points in each mpMRI group.ConclusionsIn men with negative and indeterminate mpMRI, we found the best 4Kscore threshold to determine the need for biopsy to be 33 and 8 respectively. Future prospective studies in independent populations are needed to confirm these findings.