bluuebunny/crossref_metadata_2025_split huggingface dataset:
Flash‐Lamp Processing of Charge Extraction Layers for Polymer Solar Cells
Authors: Sokeng Djoumessi Aurelien , Madalaimuthu Jose Prince , Alam Shahidul , Anand Aman , Sichwardt Anastasia , Fischer Peter , Rösch Roland , Schubert Ulrich S. , Hoppe Harald 
Published: September 2022

AbstractThermal annealing (TA) is one of the most used processing techniques for the fabrication of polymer solar cells. The method is not only used to dry solution‐processed films but also for improving the electrical conductivity and the optical absorption of the materials after coating as films. Its use is questionable in combination with high throughput manufacturing techniques such as roll‐to‐roll large‐scale production since annealing times of several minutes already put up high demands on oven lengths. Furthermore, the commonly used flexible substrates are not compatible with high processing temperatures. Therefore, there is a need for more rapid treatment techniques, which do not negatively affect the plastic substrate. Herein, it is successfully demonstrated that flash lamp annealing (FLA) can be a valid alternative to TA. The FLA technique is applied at various pulse durations and thus energy doses to PEDOT:PSS and SnO2 films used as charge extraction layers in conventional and inverted solar cells architectures. In combination with PM6:Y6 photoactive layer, the obtained device's performances are comparable or even better than the devices treated with the classical TA on a hotplate. In terms of energy efficiency, the FLA is clearly more efficient than the TA, even at the size of prototypes.
Electronic Characteristics of Ultra‐Thin Passivation Layers for Silicon Photovoltaics
Authors: Pain Sophie L. , Khorani Edris , Niewelt Tim , Wratten Ailish , Paez Fajardo Galo J. , Winfield Ben P. , Bonilla Ruy S. , Walker Marc , Piper Louis F. J. , Grant Nicholas E. , Murphy John D. 
Published: September 2022

AbstractSurface passivating thin films are crucial for limiting the electrical losses during charge carrier collection in silicon photovoltaic devices. Certain dielectric coatings of more than 10 nm provide excellent surface passivation, and ultra‐thin (<2 nm) dielectric layers can serve as interlayers in passivating contacts. Here, ultra‐thin passivating films of SiO2, Al2O3, and HfO2 are created via plasma‐enhanced atomic layer deposition and annealing. It is found that thin negatively charged HfO2 layers exhibit excellent passivation properties—exceeding those of SiO2 and Al2O3—with 0.9 nm HfO2 annealed at 450 °C providing a surface recombination velocity of 18.6 cm s−1. The passivation quality is dependent on annealing temperature and layer thickness, and optimum passivation is achieved with HfO2 layers annealed at 450 °C measured to be 2.2–3.3 nm thick which give surface recombination velocities ≤2.5 cm s−1 and J0 values of ≈14 fA cm−2. The superior passivation quality of HfO2 nanolayers makes them a promising candidate for future passivating contacts in high‐efficiency silicon solar cells.
Surface Charge and Nanoparticle Chromophore Coupling to Achieve Fast Exciton Quenching and Efficient Charge Separation in Photoacoustic Imaging (PAI) and Photothermal therapy (PTT)
Authors: Liu Zehan , Wen Jiangping , Zhou Guanqing , Xu Jinqiu , Zhu Lei , Zhang Ming , Liu Feng , Zhang Yongming 
Published: September 2022

AbstractAn organic semiconductor nanoparticle (OSN) with surface charge strategy is proposed, which displays excellent photothermal conversion performance. The donor–acceptor hybrid organic semiconductor Y6 is selected as a photothermal chromophore into nanoparticle by self‐assembly, which affords long wavelength absorption, sub‐bandgap emission, and high photon‐to‐thermal conversion. Y6 in OSN adopts closed packing comparing to that in single crystal. The surface charge in OSN causes super‐quenching of the photon excitons, which enhances the nonradiative transition to improve photothermal effect. Lower energy level electronic states are created, which breaks up the bandgap limit and leads to long wavelength emission over 1100 nm. Photothermal therapy and photoacoustic imaging are applied successfully, indicating the success of the new methodology in designing photothermal conversion materials.
Efficient Sensing of Selected Amino Acids as Biomarker by Green Phosphorene Monolayers: Smart Diagnosis of Viruses
Authors: Panigrahi Puspamitra , Pal Yash , Panigrahi Akshaya , Bae Hyeonhu , Lee Hoonkyung , Ahuja Rajeev , Hussain Tanveer 
Published: September 2022

AbstractEffective techniques for the detection of selected viruses detection of their amino acids (AAs) constituents are highly desired, especially in the present COVID pandemic. Motivated by this, we have used density functional theory (DFT) simulations to explore the potential applications of green phosphorene monolayer (GPM) as efficient nanobio‐sensor. We have employed van der Waals induced calculations to study the ground‐state geometries, binding strength, electronic structures, and charge transfer mechanism of pristine, vacancy‐induced and metal‐doped GPM to detect the selected AAs, such as glycine, proline and aspartic, in both aqueous and non‐aqueous media. We find that the interactions of studied AAs are comparatively weak on pristine (−0.49 to −0.76 eV) and vacancy‐induced GPM as compared to the metal‐doped GPM (−0.62 to −1.22 eV). Among the considered dopants, Ag‐doping enhances the binding of AAs to the GPM stronger than the others. In addition to appropriate binding energies, significant charge transfers coupled with measurable changes in the electronic properties further authenticate the potential of GPM. Boltzmann thermodynamic analysis have been used to study the sensing mechanism under varied conditions of temperatures and pressure for the practical applications. Our findings signify the potential of GPM based sensors towards efficient detection of the selected AAs.
Modeling Hydrogen and Oxygen Evolution Reactions on Single Atom Catalysts with Density Functional Theory: Role of the Functional
Authors: Barlocco Ilaria , Cipriano Luis A. , Di Liberto Giovanni , Pacchioni Gianfranco 
Published: September 2022

AbstractThe most widely used approach to predict catalytic activity is density functional theory, whose results however depend on the adopted exchange‐correlation functional. In this work, the role played by the functional in predicting the activity of single atom catalysts (SAC) in the hydrogen and oxygen evolution reactions (HER and OER) is studied. 16 transition metal (TM) atoms embedded in N‐doped graphene are simulated and the performance of the widely adopted Perdew–Burke–Ernzerhof (PBE) functional against the hybrid PBE0 functional is assessed. The PBE+U approach, a computationally less complex way to correct for the self‐interaction error in density functional theory, is also considered. The predictions obtained with PBE have a substantial deviation from PBE0 for first row TMs, i.e., 3d systems, while smaller deviations are found for the 4d and 5d series. The PBE+U results represent an improvement with respect to PBE, although some differences from PBE0 remain. This study underlines the importance of the choice of the DFT functional in screening new catalysts and in predicting catalytic activities. The use of PBE appears acceptable for 4d and 5d metals, while in the case of 3d systems PBE+U or PBE0 approaches are recommended, in particular for magnetic ground states.
Unveiling the Accelerated Water Electrolysis Kinetics of Heterostructural Iron‐Cobalt‐Nickel Sulfides by Probing into Crystalline/Amorphous Interfaces in Stepwise Catalytic Reactions
Authors: Gu Zhengxiang , Zhang Yechuan , Wei Xuelian , Duan Zhenyu , Ren Long , Ji Jiecheng , Zhang Xiaoqin , Zhang Yuxin , Gong Qiyong , Wu Hao , Luo Kui 
Published: September 2022

AbstractAmorphization and crystalline grain boundary engineering are adopted separately in improving the catalytic kinetics for water electrolysis. Yet, the synergistic effect and advance in the cooperated form of crystalline/amorphous interfaces (CAI) have rarely been elucidated insightfully. Herein, a trimetallic FeCo(NiS2)4 catalyst with numerous CAI (FeCo(NiS2)4‐C/A) is presented, which shows highly efficient catalytic activity toward both hydrogen and oxygen evolution reactions (HER and OER). Density functional theory (DFT) studies reveal that CAI plays a significant role in accelerating water electrolysis kinetics, in which Co atoms on the CAI of FeCo(NiS2)4‐C/A catalyst exhibit the optimal binding energy of 0.002 eV for H atoms in HER while it also has the lowest reaction barrier of 1.40 eV for the key step of OER. H2O molecules are inclined to be absorbed on the interfacial Ni atoms based on DFT calculations. As a result, the heterostructural CAI‐containing catalyst shows a low overpotential of 82 and 230 mV for HER and OER, respectively. As a bifunctional catalyst, it delivers a current density of 10 mA cm−2 at a low cell voltage of 1.51 V, which enables it a noble candidate as metal‐based catalysts for water splitting. This work explores the role of CAI in accelerating the HER and OER kinetics for water electrolysis, which sheds light on the development of efficient, stable, and economical water electrolysis systems by facile interface‐engineering implantations.
Ultrathin Fiber‐Mesh Polymer Thermistors
Authors: Okutani Chihiro , Yokota Tomoyuki , Someya Takao 
Published: September 2022

AbstractFlexible sensors enable on‐skin and in‐body health monitoring, which require flexible thermal protection circuits to prevent overheating and operate the devices safely. Here, ultrathin fiber‐mesh polymer positive temperature coefficient (PTC) thermistors via electrospinning are developed. The fiber‐type thermistors are composed of acrylate polymer and carbon nanofibers. The fibrous composite materials are coated with a parylene to form a core–sheath structure, which improves the repeatability of temperature characteristics. Approximately 5 µm thick fiber‐type thermistors exhibit an increase in the resistance by three orders of magnitude within ≈2 °C and repeatable temperature characteristics for up to 400 cycles. The mesh structure enables the thermistor layer to be ultra‐lightweight and transparent; the mesh‐type thermistor operates with a fiber density of 16.5 µg cm−2, whose fiber layer has a transmittance of more than 90% in the 400–800 nm region. By fabricating the mesh thermistor on a 1.4 µm thick substrate, the thermistor operates without degradation when wrapped around a 280 µm radius needle. Furthermore, the gas‐permeable property is demonstrated by fabricating the fibrous thermistor on a mesh substrate. The proposed ultrathin mesh polymer PTC thermistors form the basis for on‐skin and implantable devices that are equipped with overheat prevention.
Engineering Alendronate‐Composed Iron Nanochelator for Efficient Peritoneal Carcinomatosis Treatment
Authors: Zhao Jing , Huang Xiuyu , Liu Peng , Qiu Miaojuan , Li Binbin , Wen Yingfei , Li Yongshu , Wang Qiang , Wu Meiying , Chen Yu , Pan Yihang 
Published: September 2022

AbstractIron is an essential element for various cellular metabolism. Cancer cells also have high requirement of iron in their proliferation, invasion, and metastasis processes. Alendronate (ALN), a kind of FDA‐approved bisphosphonates with metal‐chelating capability, is initially certified to selectively bind to intracellular Fe3+ theoretically and experimentally in this study. Hence, CaALN iron nanochelator is rationally designed to kill cancer cells by synergism of Fe‐depletion and calcium accumulation. In vitro experiments and RNA sequencing analysis indicate that CaALN nanomedicine inhibits the proliferation of cancer cells by depleting Fe, interfering with DNA replication, and triggering intracellular reactive oxygen species (ROS). Meanwhile, released Ca2+ and ROS mutually promote and induce damage of cellular macromolecules, which leads to mitochondrial apoptosis of cancer cells. In an intraperitoneal disseminated mouse model with the human ovarian cancer cells SKOV3, CaALN nanoparticles selectively accumulate in tumor tissues and result in significant retardation of tumor growth and ascites formation. The mean survival time of SKOV3‐bearing mice in treatment group is prolonged from 33 to 90 d. These results indicate that the alendronate‐originated iron chelator can serve as an efficient strategy for the treatment of peritoneal carcinomatosis.
Decoy Exosomes Offer Protection Against Chemotherapy‐Induced Toxicity
Authors: Fan Miao , Li Hang , Shen Deliang , Wang Zhaoshuo , Liu Huifang , Zhu Dashuai , Wang Zhenzhen , Li Lanya , Popowski Kristen D. , Ou Caiwen , Zhang Kaihan , Zhang Jinchao , Cheng Ke , Li Zhenhua 
Published: September 2022

AbstractCancer patients often face severe organ toxicity caused by chemotherapy. Among these, chemotherapy‐induced hepatotoxicity and cardiotoxicity are the main causes of death of cancer patients. Chemotherapy‐induced cardiotoxicity even creates a new discipline termed “cardio‐oncology”. Therefore, relieving toxicities induced by chemotherapy has become a key issue for improving the survival and quality of life in cancer patients. In this work, mesenchymal stem cell exosomes with the “G‐C” abundant tetrahedral DNA nanostructure (TDN) are modified to form a decoy exosome (Exo‐TDN). Exo‐TDN reduces DOX‐induced hepatotoxicity as the “G‐C” base pairs scavenge DOX. Furthermore, Exo‐TDN with cardiomyopathic peptide (Exo‐TDN‐PCM) is engineered for specific targeting to cardiomyocytes. Injection of Exo‐TDN‐PCM significantly reduces DOX‐induced cardiotoxicity. Interestingly, Exo‐TDN‐PCM can also promote macrophage polarization into the M2 type for tissue repair. In addition, those decoy exosomes do not affect the anticancer effects of DOX. This decoy exosome strategy serves as a promising therapy to reduce chemo‐induced toxicity.
Anchoring Vertical Dipole to Enable Efficient Charge Extraction for High‐Performance Perovskite Solar Cells
Authors: Liu Heng , Lu Zhengyu , Zhang Weihai , Wang Jiantao , Lu Zhengli , Dai Quan , Qi Xingnan , Shi Yueqing , Hua Yuhui , Chen Rui , Shi Tingting , Xia Haiping , Wang Hsing‐Lin 
Published: September 2022

AbstractPerovskite solar cells (PSCs) via two‐step sequential method have received great attention in recent years due to their high reproducibility and low processing costs. However, the relatively high trap‐state density and poor charge carrier extraction efficiency pose challenges. Herein, highly efficient and stable PSCs via a two‐step sequential method are fabricated using organic—inorganic (OI) complexes as multifunctional interlayers. In addition to reduce the under‐coordinated Pb2+ ions related trap states by forming interactions with the functional groups, the complexes interlayer tends to form dipole moment which can enhance the built‐in electric field, thus facilitating charge carrier extraction. Consequently, with rational molecular design, the resulting devices with a vertical dipole moment that parallels with the built‐in electric field yield a champion efficiency of 23.55% with negligible hysteresis. More importantly, the hydrophobicity of the (OI) complexes contributes to an excellent ambient stability of the resulting device with 91% of initial efficiency maintained after 3000 h storage.
Inducing Ectopic T Cell Clusters Using Stromal Vascular Fraction Spheroid‐Based Immunotherapy to Enhance Anti‐Tumor Immunity
Authors: Lee Jae‐Won , Park Bum Chul , Jang Na Yoon , Lee Sihyeon , Cho Young Kyu , Sharma Prashant , Byun Sang Won , Jeon Kyeongseok , Jeon Yun‐Hui , Park Uni , Ro Hyo Jin , Park Hyo Ree , Kim Yuri , Lee Dong‐Sup , Chung Seok , Kim Young Keun , Cho Nam‐Hyuk 
Published: September 2022

AbstractTertiary lymphoid structures (TLSs) provide specialized niches for immune cells, resulting in improved prognoses for patients undergoing cancer immunotherapy. Shaping TLS‐like niches may improve anti‐cancer immunity and overcome the current limitations of immune cell‐based immunotherapy. Here, it is shown that stromal vascular fraction (SVF) from adipose tissues can enhance dendritic cell (DC)‐mediated T cell immunity by inducing ectopic T lymphocyte clusters. SVF cells expanded ex vivo have phenotypes and functions similar to those of fibroblastic reticular cells in a secondary lymphoid organ, and their properties can be modulated using three‐dimensional spheroid culture and coculture with DCs spiked with antigen‐loaded iron oxide–zinc oxide core‐shell nanoparticles. Thereby, the combination of SVF spheroids and mature DCs significantly augments T cell recruitment and retention at the injection site. This strategy elicits enhanced antigen‐specific immune response and anti‐tumoral immunity in mice, illustrating the potential for a novel immunotherapeutic design using SVF as a structural scaffold for TLS.
Tuning Fe Spin Moment in Fe–N–C Catalysts to Climb the Activity Volcano via a Local Geometric Distortion Strategy
Authors: Wang Ruguang , Zhang Lifu , Shan Jieqiong , Yang Yuanyuan , Lee Jyh‐Fu , Chen Tsan‐Yao , Mao Jing , Zhao Yang , Yang Liujing , Hu Zhenpeng , Ling Tao 
Published: September 2022

AbstractAs the most promising alternative to platinum‐based catalysts for cathodic oxygen reduction reaction (ORR) in proton exchange membrane fuel cells, further performance enhancement of Fe–N–C catalysts is highly expected to promote their wide application. In Fe–N–C catalysts, the single Fe atom forms a square‐planar configuration with four adjacent N atoms (D4h symmetry). Breaking the D4h symmetry of the FeN4 active center provides a new route to boost the activity of Fe–N–C catalysts. Herein, for the first time, the deformation of the square‐planar coordination of FeN4 moiety achieved by introducing chalcogen oxygen groups (XO2, X = S, Se, Te) as polar functional groups in the Fe–N–C catalyst is reported. The theoretical and experimental results demonstrate that breaking the D4h symmetry of FeN4 results in the rearrangement of Fe 3d electrons and increases spin moment of Fe centers. The efficient spin state manipulation optimizes the adsorption energetics of ORR intermediates, thereby significantly promoting the intrinsic ORR activity of Fe–N–C catalysts, among which the SeO2 modified catalyst lies around the peak of the ORR volcano plot. This work provides a new strategy to tune the local coordination and thus the electronic structure of single‐atom catalysts.
Patient‐Derived Organoids from Colorectal Cancer with Paired Liver Metastasis Reveal Tumor Heterogeneity and Predict Response to Chemotherapy
Authors: Mo Shaobo , Tang Peiyuan , Luo Wenqin , Zhang Long , Li Yaqi , Hu Xiang , Ma Xiaoji , Chen Yikuan , Bao Yichao , He Xingfeng , Fu Guoxiang , Xu Xiaoya , Rao Xinxin , Li Xiaomeng , Guan Ruoyu , Chen Shengzhi , Deng Yun , Lv Tao , Mu Peiyuan , Zheng Qiang , Wang Simin , Liu Fangqi , Li Yiwei , Sheng Weiqi , Huang Dan , Hu Chen , Gao Jianjun , Zhang Zhen , Cai Sanjun , Clevers Hans , Peng Junjie , Hua Guoqiang 
Published: September 2022

AbstractThere is no effective method to predict chemotherapy response and postoperative prognosis of colorectal cancer liver metastasis (CRLM) patients. Patient‐derived organoid (PDO) has become an important preclinical model. Herein, a living biobank with 50 CRLM organoids derived from primary tumors and paired liver metastatic lesions is successfully constructed. CRLM PDOs from the multiomics levels (histopathology, genome, transcriptome and single‐cell sequencing) are comprehensively analyzed and confirmed that this organoid platform for CRLM could capture intra‐ and interpatient heterogeneity. The chemosensitivity data in vitro reveal the potential value of clinical application for PDOs to predict chemotherapy response (FOLFOX or FOLFIRI) and clinical prognosis of CRLM patients. Taken together, CRLM PDOs can be utilized to deliver a potential application for personalized medicine.
Injection Molding of Magnesium Aluminate Spinel Nanocomposites for High‐Throughput Manufacturing of Transparent Ceramics
Authors: Mader Markus , Prediger Richard , Schell Karl G. , Schmidt Gabriela , Dorn Alex , Jenne Sophie , Kluck Sebastian , Hambitzer Leonhard , Luitz Manuel , Schwarz Claudia , Milich Marcel , Greiner Christian , Rapp Bastian E. , Kotz‐Helmer Frederik 
Published: September 2022

AbstractTransparent ceramics like magnesium aluminate spinel (MAS) are considered the next step in material evolution showing unmatched mechanical, chemical and physical resistance combined with high optical transparency. Unfortunately, transparent ceramics are notoriously difficult to shape, especially on the microscale. Therefore, a thermoplastic MAS nanocomposite is developed that can be shaped by polymer injection molding at high speed and precision. The nanocomposite is converted to dense MAS by debinding, pre‐sintering, and hot isostatic pressing yielding transparent ceramics with high optical transmission up to 84 % and high mechanical strength. A transparent macroscopic MAS components with wall thicknesses up to 4 mm as well as microstructured components with single micrometer resolution are shown. This work makes transparent MAS ceramics accessible to modern high‐throughput polymer processing techniques for fast and cost‐efficient manufacturing of macroscopic and microstructured components enabling a plethora of potential applications from optics and photonics, medicine to scratch and break‐resistant transparent windows for consumer electronics.
Heterosynaptic Plasticity Achieved by Highly Anisotropic Ionic Migration in Layered LixMoO3 for Neuromorphic Application
Authors: Qin Jing‐Kai , Zhu Bing‐Xuan , Wang Cong , Zhu Cheng‐Yi , Sun Ruo‐Yao , Zhen Liang , Chai Yang , Xu Cheng‐Yan 
Published: September 2022

AbstractHeterosynaptic plasticity is important for the implementation of biological functions in an excitatory synapse. Although plenty of devices have been developed to emulate the synaptic behaviors, the capability of processing information with high heterosynaptic plasticity remains challenging. Herein, it is reported that the electrical conductance of Li+ ion pre‐intercalated MoO3 nanosheet (LixMoO3: 0 < x < 1) can be efficiently modulated, relying on the local phase transition associated with electric‐field‐driven ionic migration. The LixMoO3‐based in‐plane synaptic device exhibits attractive nonvolatile memory performance including high switching ratio (≈500) and long‐term retention of states (>4000 s). By combining experimental studies with theoretical calculations, the anisotropic in‐plane ionic migration in LixMoO3 is revealed, which is attributed to the dissimilarity of adiabatic barriers along different crystallographic directions. A multiterminal LixMoO3 memristor responses anisotropically to input spikes, and the slope of conductance change along a‐axis is almost 7 times larger than that along c‐axis, which contributes to the emulation of heterosynaptic plasticity required for neurobiological architecture. Additionally, the device can also fulfill the in‐memory Boolean logic operations naturally. This work demonstrates the great potentials of ionic migration to develop artificial synapses, highlighting its promising applications for future brain‐inspired computing systems.