bluuebunny/crossref_metadata_2025_split huggingface dataset:
Active Modulation of Graphene Near‐Infrared Electroabsorption Employing Borophene Plasmons in a Wide Waveband
Authors: Nong Jinpeng , Feng Fu , Gan Jiaan , Min Changjun , Yuan Xiaocong , Somekh Michael 
Published: January 2022

AbstractThe unique optical and electronic properties of 2D materials make them suitable for the design of novel optoelectronic devices with ultracompact sizes, exhibiting great potential for major advances in the state of art of existing techniques. Here, for the first time, a prototype of a modulator is theoretically presented for the active modulation of graphene electroabsorption enabled by the tunable anisotropic borophene plasmons. Simulations reveal that the strong localized electrical field induced by borophene plasmons can significantly improve the graphene electroabsorption, of which the center wavelength can be further dynamically controlled by gate tuning the resonant wavelength of borophene plasmons. Then by gate tuning the graphene Fermi energy to transform graphene between a lossy and a lossless material, electrically switched absorption of graphene with modulation depth of 100% can be realized within a wide waveband in the near‐infrared region, including the commercially important telecommunication wavelength of 1.55 µm, indicating the excellent performance of the designed modulator via such mechanism. Such wavelength‐tunable graphene electroabsorption modulation strategy based on borophene plasmons provides an effective method for the design of graphene‐based selective multichannel switches or modulators, which is unavailable in previous reported strategies that can be only realized by passively changing the structural parameters.
Dynamic Control of Light Chirality with Nanostructured Monolayer Black Phosphorus for Broadband Terahertz Applications
Authors: Matthaiakakis Nikolaos , Droulias Sotiris , Kakarantzas George 
Published: January 2022

AbstractDynamically tunable polarization conversion at the nanoscale is essential for the realization of novel on‐chip photonic devices. To achieve the desired polarization control, typically, nanopatterning of resonant metallic or dielectric structures in anisotropic or chiral geometries is required, in many cases limiting the performance to narrowband, nontunable operation. In this work, by taking advantage of the strong anisotropic surface conductivity of black phosphorus (BP), polarization conversion is demonstrated via the coherent excitation of localized surface plasmons (LSPs) in symmetrically patterned monolayer BP nanosquare arrays. Using finite‐difference time‐domain simulations, linear‐to‐circular and circular‐to‐linear polarization conversion, dynamic tunability and switching, and broadband operation in the terahertz (THz) regime, all enabled by means of electrostatic control of the carrier concentration of BP, are demonstrated. Last, it is demonstrated how near‐field coupling between the LSPs and dipole emitters positioned at chosen hotspots can mediate the emission of circularly polarized light (CPL), also providing enhanced emission rates. The proposed design offers a flexible, ultrathin, platform for wave manipulation in the THz regime, enabling active control of light polarization by nanoscopic on‐chip optical sources.
Single‐Material, Near‐Infrared Selective Absorber Based on Refractive Index‐Tunable Tamm Plasmon Structure
Authors: Kim So Hee , Ko Joo Hwan , Yoo Young Jin , Kim Min Seok , Lee Gil Ju , Ishii Satoshi , Song Young Min 
Published: January 2022

AbstractAs a powerful planar plasmonics, Tamm plasmon (TP) structures open up new possibilities for high‐efficiency photonic applications demanding high quality (Q)‐factor with scalability and spectral tunability. Despite the theoretical advantages of TP structures, TP configurations alternately stacked within limited materials and integer ranges result in thicker device sizes and still struggle to achieve ideal designs. Here, by introducing a computational model with varying design parameters, the configurations of high‐performance TPs are presented within thin scale. However, the optimized configuration is hard to be realized with limited conventional materials. In this study, the effective refractive index is tailored through porosity change to achieve optimized design parameters, resulting in high Q‐factors (≈45) and near‐unity absorptance (≈99%) for sub‐micron scale TPs (≈0.7 µm) based on single material. To verify single‐material TPs (SMTPs), the real and imaginary parts of the optical impedances are calculated, which are well matching each other, resulting in unity absorption. Using the designed structure, SMTPs are experimentally fabricated based on glancing angle deposition. As a practical demonstration, SMTPs are combined with a metal–semiconductor–metal photodetector as an ultra‐sensitive narrowband photodetector.
Electronic Structure Modulation in MoO2/MoP Heterostructure to Induce Fast Electronic/Ionic Diffusion Kinetics for Lithium Storage
Authors: Shen Yuanhao , Jiang Yalong , Yang Zhongzhuo , Dong Jun , Yang Wei , An Qinyou , Mai Liqiang 
Published: January 2022

AbstractTransition metal oxides (TMOs) are considered as the prospective anode materials in lithium‐ion batteries (LIBs). Nevertheless, the disadvantages, including large volume variation and poor electrical conductivity, obstruct these materials to meet the needs of practical application. Well‐designed mesoporous nanostructures and electronic structure modulation can enhance the electron/Li‐ions diffusion kinetics. Herein, a unique mesoporous molybdenum dioxide/molybdenum phosphide heterostructure nanobelts (meso‐MoO2/MoP‐NBs) composed of uniform nanoparticles is obtained by one‐step phosphorization process. The Mott–Schottky tests and density functional theory calculations demonstrated that meso‐MoO2/MoP‐NBs possesses superior electronic conductivity. The detailed lithium storage mechanism (solid solution reaction for MoP and partial conversion for MoO2), small change ratio of crystal structure and fast electronic/ionic diffusion behavior of meso‐MoO2/MoP‐NBs are systematically investigated by operando X‐ray diffraction, ex situ transmission electron microscopy, and kinetic analysis. Benefiting from the synergistic effects, the meso‐MoO2/MoP‐NBs displays a remarkable cycling performance (515 mAh g−1 after 1000 cycles at 1 A g−1) and excellent rate capability (291 mAh g−1 at 8 A g−1). These findings can shed light on the behavior of the electron/ion regulation in heterostructures and provide a potential route to develop high‐performance lithium‐ion storage materials.
Insights into the Effects of RbF‐Post‐Deposition Treatments on the Absorber Surface of High Efficiency Cu(In,Ga)Se2 Solar Cells and Development of Analytical and Machine Learning Process Monitoring Methodologies Based on Combinatorial Analysis
Authors: Fonoll‐Rubio Robert , Paetel Stefan , Grau‐Luque Enric , Becerril‐Romero Ignacio , Mayer Rafael , Pérez‐Rodríguez Alejandro , Guc Maxim , Izquierdo‐Roca Victor 
Published: January 2022

AbstractThe latest record efficiencies of the Cu(In,Ga)Se2 (CIGSe) photovoltaic technology are driven by heavy alkali post‐deposition treatments (PDTs). Despite their positive effect, especially in the Voc of the devices, their underlying mechanisms are still under discussion. This work sheds light on this topic by performing a high statistics analysis on 620 high efficiency CIGSe solar cells submitted to four different PDT processes (different RbF source temperature) employing a combinatorial approach based on Raman and photoluminescence (PL) spectroscopies. This reveals with statistical confidence subtle differences in the spectroscopic data that relate to the redistribution of defects between the ordered vacancy compound (OVC) and the chalcopyrite phases at the absorber surface. In particular, there is an intertwined decrease of the OVC phase and increase of the so‐called “defective chalcopyrite phase.” Additionally, two industry‐compatible methodologies for the assessment of the RbF‐PDT process and prediction of the Voc of the final devices with a ±2% error and an efficacy of ≈95% are developed based on analytical and machine learning approaches. These results show that the combined Raman and PL spectroscopic techniques represent a powerful tool for the future development of the CIGSe technology at a research level and for more efficient industrial manufacturing.
Swapping Catalytic Active Sites from Cationic Ni to Anionic S in Nickel Sulfide Enables More Efficient Alkaline Hydrogen Generation
Authors: Wang Pengyan , Wang Tingting , Qin Rui , Pu Zonghua , Zhang Chengtian , Zhu Jiawei , Chen Ding , Feng Dong , Kou Zongkui , Mu Shichun , Wang John 
Published: January 2022

AbstractTuning active sites in catalyst design is the key to boosting the intrinsic activity of hydrogen evolution reaction (HER). Cationic Ni has been widely established as an active site in nickel sulfide due to the relatively low Gibbs free energy of hydrogen adsorption (ΔGH*). However, one of the big unsettled issues is whether S can be activated as a more active site than Ni in NiS2. Herein, the swapping of catalytic active sites from cationic Ni to anionic S in a hierarchical structure consisting of NiS2 nanoflowers grown on dual‐phased NiS2‐NiS foam (denoted as NiS2/NiS2‐NiS) is shown. A combined study of theoretical calculations and X‐ray photoelectron spectroscopy analysis demonstrate the remarkably antidromic electron transfer from Ni to S sites, therefore relieving the adsorption of hydrogen species and endowing a higher intrinsic activity at the S site over the Ni site. The new catalyst therefore exhibits superior HER performance, identified by doubling in the intrinsic activity and a twofold increased turnover frequency value compared to its pure NiS2 counterpart (0.028 s−1 vs 0.015 s−1 at the applied overpotential of 200 mV). The NiS2/NiS2‐NiS electrode also demonstrates outstanding activity toward the oxygen evolution reaction and overall water splitting.
Performance of limestone‐based sorbent for sorption‐enhanced gasification in dual interconnected fluidized bed reactors
Authors: Coppola Antonio , Sattari Aida , Montagnaro Fabio , Scala Fabrizio , Salatino Piero 
Published: January 2022

AbstractA possibility to carry out sorption‐enhanced gasification (SEG) is represented by its integration with the calcium looping concept in dual interconnected fluidized beds (DIFB). This article is focused on the sorbent CO2 uptake performance and attrition/fragmentation tendency when operating conditions simulating those of a DIFB‐SEG process are adopted. Experiments were carried out on a commercial Italian limestone in a laboratory‐scale DIFB reactor. Carbonation was carried out in a range of test conditions, including variable temperature (600–700°C) and absence/presence of steam (10% by volume); CO2 concentration was set at 10% by volume. The characterization is extended by investigating the behavior of preprocessed DIFB‐SEG samples on impact fragmentation tests, conducted in an ex situ apparatus. Tests were carried out for impact velocities in the range 17–45 m/s. Results were discussed considering both the impact velocity value and the operating conditions under which the sample was preprocessed in the fluidized bed.
Clinical phenotype and musculoskeletal characteristics of patients with aggrecan deficiency
Authors: Alexandrou Eirene , Dauber Andrew , Tyzinski Leah , Hwa Vivian , Andrew Melissa , Kim Hee , Elangovan Stacey , Gubanich Paul , Taylor‐Haas Jeffery A. , Paterno Mark , Backeljauw Philippe 
Published: January 2022

AbstractAggrecan is a proteoglycan within the physeal and articular cartilage. Aggrecan deficiency, due to heterozygous mutations in the ACAN gene, causes dominantly inherited short stature and, in many patients, early‐onset osteoarthritis and degenerative disc disease. We aimed to further characterize this phenotypic spectrum with an emphasis on musculoskeletal health. Twenty‐two individuals from nine families were enrolled. Histories and examinations focused on joint health, gait analysis, joint specific patient reported outcomes, and imaging studies were performed. All patients had dominantly inherited short stature, with the exception of a de novo mutation. Short stature was worse in adults versus children (median height −3.05 SD vs. −2.25 SD). ACAN mutations were not always associated with bone age advancement (median advancement +1.1 years, range 0 to +2 years). Children had subtle disproportionality and clinically silent joint disease—25% with osteochondritis dissecans (OD). Adults had a high prevalence of joint symptomatology–decline in knee function, disability from spinal complaints, and lower physical activity on outcome measures. Osteoarthritis (OA) and OD was detected in 90% of adults, and orthopedic surgeries were reported in 60%. Aggrecan deficiency leads to short stature with progressive decline in height SD, mild skeletal dysplasia, and increasing prevalence of joint pathology over time. Optimal musculoskeletal health and quality of life can be attained with timely identification of pathology and intervention.
The first case report of Strømme syndrome in a Chinese patient: Expanding the phenotype and literature review
Authors: Ho Stephanie , Luk Ho‐Ming , Lo Ivan F. M. 
Published: January 2022

AbstractStrømme syndrome (MIM #243605) is a rare autosomal recessive ciliopathy resulting from compound heterozygous or homozygous pathogenic alterations in the CENPF gene (# 600236). Although there are a number of case reports featuring individuals with clinically compatible Strømme syndrome, only 13 affected individuals had molecular confirmation worldwide. Herein, we report a 24 years old Chinese gentleman with molecularly confirmed Strømme syndrome with compound heterozygous pathogenic nonsense variants in NM_016343.3(CENPF):c.436C > T, p.(Gln146*) and c.9280C > T, p.(Arg3094*). He presented with microcephaly, unilateral microphthalmia, single central upper incisor and bilateral preaxial polydactyly. To our knowledge, this is the first reported Chinese individual with molecularly confirmed Strømme syndrome.
Asymmetric Hydroaminoalkylation of Alkenylazaarenes via Cooperative Photoredox and Chiral Hydrogen‐Bonding Catalysis
Authors: Chai Xiangpei , Hu Xinheng , Zhao Xiaowei , Yin Yanli , Cao Shanshan , Jiang Zhiyong 
Published: January 2022

AbstractChiral hydrogen‐bonding (H‐bonding) catalytic asymmetric conjugate addition to activated olefins has been widely used to access enantioenriched molecules containing stereocenters at the β‐position of the olefin activating groups. Herein, we report the first highly enantioselective radical‐based manifold. Under a dual organocatalyst system involving a chiral phosphoric acid and DPZ as the photoredox sensitizer, transformations of N‐arylglycines, in which aryls with CF3 substituents are introduced, with alkenyl azaarenes afforded valuable hydroaminoalkylation adducts with satisfactory results. In addition to the diversity of azaarenes, the method can be used to construct aryl‐, alkyl‐ and silyl‐substituted stereocenter. Control experiments and density functional theory calculations were performed to elucidate a plausible reaction mechanism and the origin of stereoselectivity, wherein nonclassical H‐bonding interactions were found to assist chiral catalysts in offering sufficient enantiocontrol.
p–d Orbital Hybridization Induced by a Monodispersed Ga Site on a Pt3Mn Nanocatalyst Boosts Ethanol Electrooxidation
Authors: Wang Yao , Zheng Meng , Li Yunrui , Ye Chenliang , Chen Juan , Ye Jinyu , Zhang Qinghua , Li Jiong , Zhou Zhiyou , Fu Xian‐Zhu , Wang Jin , Sun Shi‐Gang , Wang Dingsheng 
Published: January 2022

AbstractConstructing monodispersed metal sites in heterocatalysis is an efficient strategy to boost their catalytic performance. Herein, a new strategy using monodispersed metal sites to tailor Pt‐based nanocatalysts is addressed by engineering unconventional p–d orbital hybridization. Thus, monodispersed Ga on Pt3Mn nanocrystals (Ga‐O‐Pt3Mn) with high‐indexed facets was constructed for the first time to drive ethanol electrooxidation reaction (EOR). Strikingly, the Ga‐O‐Pt3Mn nanocatalyst shows an enhanced EOR performance with achieving 8.41 times of specific activity than that of Pt/C. The electrochemical in situ Fourier transform infrared spectroscopy results and theoretical calculations disclose that the Ga‐O‐Pt3Mn nanocatalyst featuring an unconventional p–d orbital hybridization not only promote the C−C bond‐breaking and rapid oxidation of ‐OH of ethanol, but also inhibit the generation of poisonous CO intermediate species. This work discloses a promising strategy to construct a novel nanocatalysts tailored by monodispersed metal site as efficient fuel cell catalysts.
Two‐Dimensional Organic Supramolecule via Hydrogen Bonding and π–π Stacking for Ultrahigh Capacity and Long‐Life Aqueous Zinc–Organic Batteries
Authors: Chen Yuan , Li Jianyao , Zhu Qin , Fan Kun , Cao Yiqing , Zhang Guoqun , Zhang Chenyang , Gao Yanbo , Zou Jincheng , Zhai Tianyou , Wang Chengliang 
Published: January 2022

AbstractAqueous zinc‐ion batteries (ZIBs) are promising for next‐generation energy storage. However, the reported electrode materials for ZIBs are facing shortcomings including low capacity and unsatisfactory cycling stability etc. Herein, hexaazatrinaphthalene‐quione (HATNQ) is reported for aqueous ZIBs. The HATNQ electrodes delivered an ultrahigh capacity (482.5 mAh g−1 at 0.2 A g−1) and outstanding cyclability of >10 000 cycles at 5 A g−1. The capacity sets a new record for organic cathodes in aqueous ZIBs. The high performances are ascribed to the rich C=O and C=N groups that endowed HATNQ with a 2D layered supramolecular structure by multiple hydrogen bonds in plane with π–π interactions out‐of‐plane, leading to enhanced charge transfer, insolubility, and rapid ion transport for fast‐charge and ‐discharge batteries. Moreover, the 2D supramolecular structure boosted the storage of Zn2+/H+, particularly the storage of Zn2+, due to the more favorable O⋅⋅⋅Zn⋅⋅⋅N coordination in HATNQ.
Controlled Uptake of an Iridium Complex inside Engineered apo‐Ferritin Nanocages: Study of Structure and Catalysis**
Authors: Taher Mohd , Maity Basudev , Nakane Taiki , Abe Satoshi , Ueno Takafumi , Mazumdar Shyamalava 
Published: January 2022

AbstractThe effect of the mutation at the core of the ferritin nanocage (apo‐rHLFr) on the uptake of IrCp* has been investigated by structural and spectroscopic methods. Site‐specific mutations of two polar residues viz., Asp38 and Arg52 were investigated. The uptake of IrCp* was increased by about 1.5‐fold on mutation of Arg52 by His compared to the wild‐type variant, while mutation of Asp38 by His had no effect on the uptake. All the variants of the Ir‐embedded ferritin cages remained as stable as the wild‐type analogue. These hybrid bio‐nanocages of ferritin were found to efficiently catalyze transfer hydrogenation of various substituted acetophenones forming the corresponding chiral alcohols with up to 88 % conversion and 70 % enantioselectivity. An electron‐withdrawing substituent on the reactant enhanced the Turnover frequency of the reaction. Molecular docking analyses suggested that the substrate binds in different orientations at the active site in different mutants of the nanocage.
Modulating the Frontier Orbitals of an Aluminylene for Facile Dearomatization of Inert Arenes**
Authors: Zhang Xin , Liu Liu Leo 
Published: January 2022

AbstractLewis bases are well known to stabilize electron‐deficient species. We demonstrate herein that the redox property of a monocoordinated aluminylene1featuring only four valence electrons for the shell of Al can be boosted by a Lewis base. The coordination of1with an N‐heterocyclic carbene (NHC) effectively shrinks the HOMO–LUMO gap, thereby enhancing the reactivity of the ensuing acyclic mono‐NHC‐stabilized aluminylene2, which is isoelectronic with singlet carbenes. Moreover, such base coordination completely reverses the predominant chemical reactivity (i.e. electrophilicity/nucleophilicity) of aluminylenes. In marked contrast to1,2readily undergoes a [4+1] cycloaddition reaction with naphthalene and biphenylene at room temperature. Strikingly, the enhanced ambiphilic nature of Al in2also enables facile cleavage of aromatic C−C bonds of inert arenes in both intra‐ and intermolecular fashion affording3and5. The formation of5represents the first example of the cleavage of an aromatic C(3)−C(4) bond in biphenylene by a single‐atom center.
Construction of strong non‐covalent interactions for preparation of flame‐retarded acrylic pressure‐sensitive adhesives with improved shear and peel strengths
Authors: Liu Xing , Zhao Jianqing , Lin Xiaodan 
Published: January 2022

AbstractThe development of acrylic pressure‐sensitive adhesives (PSAs) with good flame retardancy is of great importance for the optoelectronic, automobile, and aircraft applications. However, a well‐known problem is that conventional flame retardants, while imparting good flame retardant properties to acrylic PSAs, compromise the cohesion and result in the unsatisfactory shear and peel strengths. In this work, flame‐retarded acrylic PSAs with improved shear and peel strengths were successfully prepared by constructing a tight non‐covalent crosslinking network that effectively counteract the negative effect of flame retardants on cohesion. In addition, the combination of dimethyl methylphosphonate (DMMP) and SiO2 increases the flame retardant effectiveness and reduces the overall required loading of flame retardants. As an example, when the amount of acrylic acid (AA) was 35 wt%, acrylic PSA containing 12.7 wt% DMMP and 2.5 wt% SiO2 particles showed well‐balanced adhesive properties and flame retardancy, with a shear strength of 3600 min and a peel strength of 15.0 N/25 mm, as well as a UL‐94 V‐0 rating. Meanwhile, it exhibited a high transmittance of above 90%. Furthermore, TG‐FTIR results confirmed that the flame‐retarded behaviors occurred in vapor phase.
Electro‐conductive nanofibrous structure based on PGS/PCL coated with PPy by in situ chemical polymerization applicable as cardiac patch: Fabrication and optimization
Authors: Fakhrali Aref , Semnani Dariush , Salehi Hossein , Ghane Mohammad 
Published: January 2022

AbstractAs a special structure and due to the unique properties of submicron‐scale fibers and electrical conductivity, conductive nanofibers recently attracted further attention in various fields, especially tissue engineering. This study aimed to coat poly (glycerol sebacate) (PGS) nanofiber/poly(caprolactone) (PCL) as a widely used combination in the fields of medicine with poly(pyrrole) (PPy) as a conductive polymer, subsequently studying and optimizing production process variables using response surface methodology (RSM). The samples were examined for morphological and structural, and their electrical conductivity and electroactivity were measured using a four‐point probe system and a cyclic voltammetry, respectively. The electrospinning conditions for constructing the substrate nanofibers with the smallest diameter were optimized. The monomer concentration of 0.05M and the polymerization time of 3.3 h exploiting the RSM were also considered as the optimal conditions for obtaining coated‐nanofibers with the smallest diameter and desired electrical conductivity (0.001 S/cm). The structural findings confirmed the successful synthesis of PGS and PPy. The conductive‐nanofiber produced under optimal conditions revealed good mechanical properties (tensile strength = 3.12 ± 0.19 MPa and elongation at break = 80.26 ± 13.71%). The highest biocompatibility was observed for the sample synthesized with the pyrrole concentration of 0.05M, which can be a suitable candidate for application in cardiac tissue engineering.