bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Importance of Stacking and Coordination for Li, Na, and Mg Diffusion and Intercalation in Ti3C2T2 MXene
Authors: Hadler‐Jacobsen Jacob , Schnell Sondre Kvalvåg 
Published: May 2022

AbstractThe 2D layered Ti3C2T2 MXene is known for its diverse chemistry and has been investigated as potential anode and cathode in Li, Na, and Mg batteries. Ti3C2T2 layers can stack in at least two different ways depending on the termination group chemistry. In addition, stacking and termination groups influence the diffusivity and energy of ions intercalated in the MXene. How stacking influences the diffusivity, and how intercalated ions influence the stacking stability are not fully understood. In this study, density functional theory simulations explore Li, Na, and Mg ions intercalated in Ti3C2T2 stacked in four different ways; two are experimentally verified, and previously discussed in literature, and two with limited experimental evidence. It is shown that the stacking can reduce diffusion by 8–20 orders of magnitude. It is also explained how the termination group chemistry and the intercalated Li/Na/Mg ions change the relative stability of the stackings. The stacking's influence on diffusion properties is explained by examining the coordination of the ions at different points along the migration path. It is suggested that Ti3C2T2 with significant fluorine termination can be well‐suited for especially Na anode use, and regardless of termination is unsuited as Mg cathode.
Enhanced Photocarrier Collection in Bismuth Vanadate Photoanode through Modulating the Inner Potential Distribution
Authors: Liu Bo , Sun Mengdi , Tan Bing , Zhang Zemin , Han Weihua 
Published: May 2022

AbstractPhotoelectrochemical (PEC) synthesis provides a promising approach to produce green fuels, while the low energy conversion efficiency limits its application due to photocarrier recombination. Photocarrier recombination can be inhibited by building potential gradients in the photoelectrode with heterojunctions. However, despite the achieved progress, only a small amount of photocarriers can be collected and take PEC reactions. One of the main reasons is that the potential gradient provided by heterojunctions is limited in the depletion region, while photocarrier recombination mainly occurrs in the charge diffusion region. To break through the limitation of band engineering technique, herein, polarized BaTiO3 nanoparticles are embedded in BiVO4 composite photoanode to modulate the inner potential distribution so that more photocarriers can be successfully collected. The results show that the energy conversion efficiency has been significantly improved, as evidenced by an improved PEC H2O2 production concentration of 836 µmol L–1 under simulated sunlight illumination, which is 2.6 times of pure BiVO4 in the same situation. This work demonstrates a feasible strategy to enhance photocarrier collection efficiency by modulating the inner potential distribution in photoelectrode with an embedded polarizer, which can significantly enhance the energy conversion efficiency without extra energy consumption.
Novel Spin‐Decoupling Strategy in Liquid Crystal‐Integrated Metasurfaces for Interactive Metadisplays
Authors: Naveed Muhammad Ashar , Kim Joohoon , Javed Isma , Ansari Muhammad Afnan , Seong Junhwa , Massoud Yehia , Badloe Trevon , Kim Inki , Riaz Kashif , Zubair Muhammad , Mehmood Muhammad Qasim , Rho Junsuk 
Published: May 2022

AbstractSymmetric spin–orbit interaction (SOI)‐based approaches apply a practical limit on helicity multiplexed metaoptics, i.e., center symmetric information encoding. Contrarily, asymmetric SOI's based on the combination of geometric and propagation phase‐delay approaches can effectively address such limitations for multifunctional multiplexed metaoptics on the cost of design complexities. In this paper, a simple asymmetric SOI‐based technique is realized for multifunctional metaoptics, employing only a single unit cell, breaking the conventional tradeoff between design complexity and efficient asymmetric transmission efficiency. The design approach depends on geometric phase alone, which eases the fabrication challenges and decreases the computational cost associated with previous asymmetric SOI‐based metaoptics. Furthermore, this study utilizes a new, low‐cost CMOS‐compatible material to optimize the proposed single unit cell for low loss and high transmission efficiency over the complete visible domain. On‐axis and off‐axis holographic metasurfaces are designed and integrated with pressure‐sensitive liquid crystal cells to demonstrate actively tunable metaholography with no limitation of center symmetric information encoding. The simple design technique, cost‐effective fabrication, and finger touch‐enabled holographic output switching make this integrated setup a potential candidate for many applications such as smart safety labeling, motion or touch recognition, and interactive displays for impact monitoring of precious artworks and products.
A Highly Crystallized Hexagonal BCN Photocatalyst with Superior Anticorrosion Properties
Authors: Guo Fangsong , Li Shanrong , Yang Can , Zhang Jinshui , Hou Yidong , Wang Xinchen 
Published: May 2022

AbstractA major challenge in the nitride‐based materials for photocatalytic oxidation reaction is their low stability under oxidizing and acidic environment. To solve these problems, highly crystallized hexagonal boron carbon nitride (BCN) with more homogeneous mixing of B, C, and N atoms is achieved by pyrolysis of precursor materials in the presence of NaOH as a crystallization promoter. The high crystallinity and chemical homogeneity features of the fabricated BCN reduce the structural defects and accelerate the interfacial charge transfer and separation, thus inhibiting the self‐oxidation and endowing it with a superior oxidation resistance. With these prominent advantages, the highly crystallized BCN exhibits markedly enhanced photocatalytic activity and long‐term anticorrosion stability under oxygen and self‐generated acidic condition, far beyond polycrystalline BCN. This work offers new insights into the catalyst design of crystalline BCN and demonstrates its great promise for solar energy applications.
High‐Performance Blue Quantum‐Dot Light‐Emitting Diodes by Alleviating Electron Trapping
Authors: Wang Fangfang , Hua Qingzhao , Lin Qingli , Zhang Fengjuan , Chen Fei , Zhang Huimin , Zhu Xiaoxiang , Xue Xulan , Xu Xiongping , Shen Huaibin , Zhang Hanzhuang , Ji Wenyu 
Published: May 2022

AbstractCurrently, blue quantum‐dot light‐emitting diodes (QLEDs) remain the bottleneck limiting the development of QLED‐based applications. To achieve high‐performance blue QLEDs, poly‐N‐vinylcarbazole (PVK) is usually employed as the hole‐transport layer (HTL) to reduce the hole injection barrier. However, fabrication of efficient blue QLEDs with PVK HTL remains challenging and empirical/accidental. Here, it is demonstrated that PVK layer can trap electrons and hence resulting in low device efficiency. This is why the performance of blue QLEDs is highly dependent on the PVK batch received from the manufacturers. As an interlayer, ZnSe/ZnS quantum dots (QDs) are inserted between PVK and blue ZnCdSe/ZnS QD emitters. The resulted device presents an external quantum efficiency of 20.6% under 2920 cd m−2, enhanced by ≈35% compared with that of PVK‐alone device. The remarkable enhancement is owing to the QD interlayer that not only suppresses the electron trapping in PVK, increasing the probability of exciton recombination within the emissive layer, but also facilitates the hole injection, improving the charge balance in blue devices.
Modulation of Spin Dynamics in 2D Transition‐Metal Dichalcogenide via Strain‐Driven Symmetry Breaking
Authors: Liu Tao , Xiang Du , Ng Hong Kuan , Han Zichao , Hippalgaonkar Kedar , Suwardi Ady , Martin Jens , Garaj Slaven , Wu Jing 
Published: May 2022

AbstractTransition metal dichalcogenides (TMDs) possess intrinsic spin–orbit interaction (SOI) with high potential to be exploited for various quantum phenomena. SOI allows the manipulation of spin degree of freedom by controlling the carrier's orbital motion via mechanical strain. Here, strain modulated spin dynamics in bilayer MoS2 field‐effect transistors (FETs) fabricated on crested substrates are demonstrated. Weak antilocalization (WAL) is observed at moderate carrier concentrations, indicating additional spin relaxation path caused by strain fields arising from substrate crests. The spin lifetime is found to be inversely proportional to the momentum relaxation time, which follows the Dyakonov–Perel spin relaxation mechanism. Moreover, the spin–orbit splitting is obtained as 37.5 ± 1.4 meV, an order of magnitude larger than the theoretical prediction for monolayer MoS2, suggesting the strain enhanced spin‐lattice coupling. The work demonstrates strain engineering as a promising approach to manipulate spin degree of freedom toward new functional quantum devices.
Impurity Gettering in Polycrystalline‐Silicon Based Passivating Contacts—The Role of Oxide Stoichiometry and Pinholes
Authors: Yang Zhongshu , Krügener Jan , Feldmann Frank , Polzin Jana‐Isabelle , Steinhauser Bernd , Le Tien T. , Macdonald Daniel , Liu AnYao 
Published: May 2022

AbstractPolycrystalline‐silicon/oxide (poly‐Si/SiOx) passivating contacts for high efficiency solar cells exhibit excellent surface passivation, carrier selectivity, and impurity gettering effects. However, the ultrathin SiOxinterlayer can act as a diffusion barrier for metal impurities and this potentially slows down the overall gettering rate of the poly‐Si/SiOxstructures. Herein, the factors that determine the blocking effects of the SiOxinterlayers are identified and investigated by examining two general types of the SiOxinterlayers: 1.3 nm ultrathin tunneling SiOxwith negligible pinholes and 2.5 nm SiOxwith thermally created pinholes. Iron is used as tracer impurity in silicon to quantify the gettering rate. By fitting the experimental gettering kinetics by a diffusion‐limited segregation gettering model, the blocking effects of the SiOxinterlayers are quantified by a transport parameter. Both the oxide stoichiometry and pinhole density affect the effective transport of iron through SiOxinterlayers. The oxide stoichiometry depends strongly on the oxidation method, while the pinhole density is affected by the activation temperature, doping concentration, doping technique, and possibly the dopant type as well. To enable a fast gettering process during typical high‐temperature formation of the poly‐Si/SiOxstructures, a SiOxinterlayer that is less stoichiometric or with a higher pinhole density is preferred.
Recent Development and Future Perspectives of Amorphous Transition Metal‐Based Electrocatalysts for Oxygen Evolution Reaction
Authors: Guo Tianqi , Li Lidong , Wang Zhongchang 
Published: May 2022

AbstractOxygen evolution reaction (OER), as a relevant half reaction for water splitting to address the energy crisis, has captured a great deal of attention. However, this technology has always been impeded by the lack of a highly efficient and stable electrocatalyst. Amorphous materials, which possess long‐range disorder and only short‐range order over a few atoms, are often superior to their crystalline counterparts in electrocatalysis owing to their more active sites, broader chemical composition range, and more structural flexibility. This review first introduces some assessment criteria for the OER and then presents theoretical modeling of the OER mechanisms and the state‐of‐the‐art amorphous transition metal‐based OER electrocatalysts, involving oxides, hydroxides, sulfides, phosphides, borides, and their composites, as well as their practical applications in the OER. Finally, recent development, existing challenges, and future perspectives for amorphous transition metal‐based OER electrocatalysts are discussed. This paper offers valuable guidance in designing highly efficient and stable amorphous OER electrocatalysts for future energy applications.
A novel adoptive synthetic TCR and antigen receptor (STAR) T‐Cell therapy for B‐Cell acute lymphoblastic leukemia
Authors: Wang Jiasheng , Zhang Xian , Zhou Zhixiao , Liu Yue , Yu Li , Jia Lemei , Yang Junfang , Li Jingjing , Yu Hanyang , Li Wenzhong , Liu Guangna , Rui Wei , Zheng Hongli , Zhao Xueqiang , Lin Xin , Lu Peihua 
Published: May 2022

AbstractWe developed a T‐cell‐receptor (TCR) complex‐based chimeric antigen receptor (CAR) named Synthetic TCR and Antigen Receptor (STAR). Here, we report pre‐clinical and phase I clinical trial data (NCT03953599) of this T‐cell therapy for refractory and relapsed (R/R) B‐cell acute lymphoblastic leukemia (B‐ALL) patients. STAR consists of two protein modules each containing an antibody light or heavy chain variable region and TCR α or β chain constant region fused to the co‐stimulatory domain of OX40. T‐cells were transduced with a STAR‐OX40 lentiviral vector. A leukemia xenograft mouse model was used to assess the STAR/STAR‐OX40 T cell antitumor activity. Eighteen patients with R/R B‐ALL were enrolled into the clinical trial. In a xenograft mouse model, STAR‐T‐cells exhibited superior tumor‐specific cytotoxicity compared with conventional CAR‐T cells. Incorporating OX40 into STAR further improved the proliferation and persistence of tumor‐targeting T‐cells. In our clinical trial, 100% of patients achieved complete remission 4 weeks post‐STAR‐OX40 T‐cell infusion and 16/18 (88.9%) patients pursued consolidative allogeneic hematopoietic stem cell transplantation (allo‐HSCT). Twelve of 16 patients (75%) remained leukemia‐free after a median follow‐up of 545 (433–665) days. The two patients without consolidative allo‐HSCT relapsed on Day 58 and Day 186. Mild cytokine release syndrome occurred in 10/18 (55.6%) patients, and 2 patients experienced grade III neurotoxicity. Our preclinical studies demonstrate super anti‐tumor potency of STAR‐OX40 T‐cells compared with conventional CAR‐T cells. The first‐in‐human clinical trial shows that STAR‐OX40 T‐cells are tolerable and an effective therapeutic platform for treating R/R B‐ALL.
Making homes more accessible for people with mobility impairment: A lived experience perspective
Authors: Goodwin Isabella , Davis Elise , Winkler Di , Douglas Jacinta , Wellecke Cornelia , D’Cruz Kate , Mulherin Peter , Liddicoat Stephanie 
Published: May 2022

AbstractPeople with mobility impairment have the right to live in accessible housing that meets their needs. Although the Australian National Construction Code for residential housing will be amended to include minimum accessibility standards in September 2022, some states have chosen not to adopt these standards (New South Wales, Western Australia and South Australia). The inclusion of people with lived experience in decisions surrounding accessible housing design is lacking. This study sought the perspective of people with mobility impairment on the most important modifications they would make to the design of their own homes, and the homes of their friends and family, to make them more accessible. An online survey was completed from February to March 2021 by 145 people living in Australia including 112 people with mobility impairment, and 33 family members. Results indicated that 71 per cent of the participants were living in housing that did not fully meet their accessibility needs. Descriptive qualitative analyses demonstrated that commonly reported modifications included a step‐free entrance, wider internal doors and corridors, and level access throughout the home. These modifications would promote social inclusion, functioning, independence and overall quality of life. These results have policy implications for the implementation of accessibility standards in the National Construction Code.
Direct Conversion of Syngas to Higher Alcohols via Tandem Integration of Fischer–Tropsch Synthesis and Reductive Hydroformylation
Authors: Jeske Kai , Rösler Thorsten , Belleflamme Maurice , Rodenas Tania , Fischer Nico , Claeys Michael , Leitner Walter , Vorholt Andreas J. , Prieto Gonzalo 
Published: May 2022

AbstractThe selective conversion of syngas to higher alcohols is an attractive albeit elusive route in the quest for effective production of chemicals from alternative carbon resources. We report the tandem integration of solid cobalt Fischer–Tropsch and molecular hydroformylation catalysts in a one‐pot slurry‐phase process. Unprecedented selectivities (>50 wt %) to C2+ alcohols are achieved at CO conversion levels >70 %, alongside negligible CO2 side‐production. The efficient overall transformation is enabled by catalyst engineering, bridging gaps in operation temperature and intrinsic selectivity which have classically precluded integration of these reactions in a single conversion step. Swift capture of 1‐olefin Fischer–Tropsch primary products by the molecular hydroformylation catalyst, presumably within the pores of the solid catalyst is key for high alcohol selectivity. The results underscore that controlled cooperation between solid aggregate and soluble molecular metal catalysts, which pertain to traditionally dichotomic realms of heterogeneous and homogeneous catalysis, is a promising blueprint toward selective conversion processes.
Sensitive, Efficient and Portable Analysis of Molecular Exchange Processes by Hyperpolarized Ultrafast NMR
Authors: Kharbanda Yashu , Urbańczyk Mateusz , Zhivonitko Vladimir V. , Mailhiot Sarah , Kettunen Mikko I. , Telkki Ville‐Veikko 
Published: May 2022

AbstractMolecular exchange processes are ubiquitous in nature. Here, we introduce a method to analyze exchange processes by using low‐cost, portable, single‐sided NMR instruments. The inherent magnetic field inhomogeneity of the single‐sided instruments is exploited to achieve diffusion contrast of exchange sites and spatial encoding of 2D data. This so‐called ultrafast diffusion exchange spectroscopy method shortens the experiment time by two to four orders of magnitude. Furthermore, because full 2D data are measured in a single scan (in a fraction of a second), the sensitivity of the experiment can be improved by several orders of magnitude using so‐called nuclear spin hyperpolarization methods (in this case, dissolution dynamic nuclear polarization). As the first demonstration of the feasibility of the method in various applications, we show that the method enables quantification of intra‐ and extracellular exchange of water in a yeast cell suspension.
Comparative Study of the Performance of Two Different Luciferases for the Analysis of Fumonisin B1 in Wheat Samples
Authors: Luque‐Uría Álvaro , Peltomaa Riikka , Navarro‐Duro Marina , Fikacek Sabrina , Head Trajen , Deo Sapna , Daunert Sylvia , Benito‐Peña Elena , Moreno‐Bondi María C. 
Published: May 2022

AbstractInvited for this month‘s cover are the collaborating groups of Prof. Moreno‐Bondi at Complutense University of Madrid, Spain and Prof. Sylvia Daunert at University of Miami, Florida, USA. The cover picture shows a competitive immunoassay between a fumonisin B1 mimopeptide fused to the NanoLuc luciferase and the mycotoxin for the binding sites of the anti‐fumonisin B1 antibody immobilized onto magnetic microparticles. More information can be found in the Research Article by E. Benito‐Peña, M. C. Moreno‐Bondi, and co‐workers.
The shape effect and mechanism of particle‐reinforced shear‐thickening gel composites
Authors: Lin Huan , Shao Jianming , Cai Lihai , Liu Wenyan , Li Wanli , Dong Xia 
Published: May 2022

AbstractIn order to meet the requirements of practical applications, the shape effect of particles and their shear‐thickening mechanism is very crucial to the shear thickening gels (STG). In this work, three kinds of STG/particle composites were successfully prepared by blending nanoscale SiO2, microscale MWCNTs, and millimeter‐scale carbon fiber in STG. The Rheological Property, compression, and impact resistance of STG/particle composites were tested and analyzed. The results showed that the enhancement of the shear‐thickening properties of STG by nanoparticles was more pronounced than that of micrometer and millimeter‐sized particles. Nanoscale SiO2 significantly improved the storage modulus of STG, the G'max of STG/6%SiO2 increased by 124.63% compared with pure STG. Nanoscale SiO2 also had a great enhancement effect on the compression resistance of STG, the bearing capacity of STG/6%SiO2 and STG increased by 7.7 and 4.5 times. Furthermore, the energy absorption of STG/6%SiO2 and STG increased by 545% and 282% respectively. The drop hammer impact test also showed that STG/6%SiO2 had the best impact resistance. In addition, a possible mechanism of shear‐thickening properties of particle‐enhanced STG was proposed.
Development and molecular modeling studies of new thiadiazole piperazine urea derivatives as potential fatty acid amide hydrolase inhibitors
Authors: Gur Maz Tugce , Turanlı Sumeyye , Caliskan H. Burak , Çalışkan Burcu , Banoglu Erden 
Published: May 2022

AbstractA series of novel piperazine urea derivatives with thiadiazole moieties were designed, synthesized, and investigated for their inhibition potential against human fatty acid amide hydrolase (hFAAH). The urea derivatives possessing p‐chlorophenylthiadiazole and benzylpiperazine fragments (19–22) were effective inhibitors of hFAAH. Notably, compounds with 4‐chlorobenzyl (19) and 4‐fluorobenzyl (20) tails at the piperazine side were identified as the most active inhibitors with IC50 values of 0.13 and 0.22 µM, respectively. The preincubation test of 19 was in agreement with the irreversible binding mechanism. Molecular docking was performed to explore the potential binding interactions with key amino acid residues at the FAAH active site. These newly identified inhibitors could serve as leads for the further development of potent and selective FAAH inhibitors for FAAH‐associated diseases.
Simultaneous reduced‐order control and fault detection for discrete‐time switched systems with relaxed persistent dwell time regularity
Authors: Guo Shun , Long Yue , Su Qingyu , Zhao Xiao‐Qi , Zhong Guang‐Xin 
Published: May 2022

AbstractThis paper focuses on the problem of simultaneous control and fault detection (FD) for discrete‐time switched systems. The main goal is to develop a control/detection unit (CDU) associated with a switching law to control the system and detect faults simultaneously. When the switched systems are with partial measurable states, we directly use these states to construct partial control and FD signals. Next, the reduced‐order CDU is designed to generate the other control and FD signals. Compared with existing results based on full‐order CDU, the proposed results lead to less conservatism and reduce design complexity. The switching law is constructed in the frame of persistent dwell time (PDT) switching. A novel switching number constraint condition is introduced, which further relaxes the restrictions on the dwell time of switching processes of PDT. The less restriction on dwell time degrades the performance requirement of each subsystem and upgrades the degree of freedom for switching law design. Based on the proposed results, a class of nonweighted performance indexes is introduced to characterize the fault sensitivity and robustness. Finally, the effectiveness of the proposed method is illustrated by an example.