bluuebunny/crossref_metadata_2025_split huggingface dataset:
Large Area Growth and Phase Selectivity of MoTe2 Nanosheets through Simulation‐Guided CVD Tellurization
Authors: Tummala Pinaka Pani , Ghomi Sara , Casari Carlo Spartaco , Martella Christian , Lamperti Alessio , Molle Alessandro 
Published: October 2022

AbstractAmong transition metal dichalcogenides, molybdenum ditelluride (MoTe2) holds significant attention due to its polymorphic nature including semiconducting, metallic, and topological semimetal phases. Considerable efforts are devoted to synthesizing MoTe2 nanosheets to make them suitable for device integration in nanotechnologies and for fundamental investigations. In this respect, chemical vapor deposition (CVD) via tellurization of a pre‐deposited Mo thin film is an easy and flexible way for synthesizing large scale MoTe2 nanosheets. Here, the study report on the CVD of large‐area (up to 4 cm × 1 cm) MoTe2 nanosheets with pure 1T’ and 2H phase selection by design. Within the tellurization scheme, the vapor‐solid reaction between the pre‐deposited molybdenum film and tellurium vapor is studied thus optimizing the scalability and quality of the MoTe2 nanosheets grown on SiO2/Si substrates. It is demonstrated that the MoTe2 structure and morphology are kinetically dictated by the tellurium concentration gradient on the reaction site with varying geometric configurations inside the CVD reactor. This study provides a pivot scheme for enabling scalable 1T’ and 2H‐MoTe2 integration in applications for novel micro‐ and nano‐electronics, spintronics, photonics, and thermoelectric devices.
Molecular Simulation of Statherin Adsorption on Hydroxyapatite (001) Surface
Authors: Ding Liang , Zeng Jinxiang , Luo Muzhong , Zhou Jian 
Published: October 2022

AbstractStatherin (SN) is an important protein that can adsorb on enamel to maintain calcium ions balance and promote biomineralization in the human oral cavity. In this work, parallel tempering Monte Carlo simulation and all‐atom molecular dynamics simulation are combined to study the behavior of SN adsorbed on the hydroxyapatite (HAP) (001) surface. The results indicate that SN can “anchor” on HAP (001) surface by its Asp1 and Sep2 with “head‐on” orientation in NaCl solution and its secondary structure and conformation are changed greatly, which means that SN loses its biological activity. However, SN can maintain its conformation in calcium phosphate solution. Furthermore, SN can adsorb on HAP (001) surface with Sep2 and Sep3 by salt bridge with calcium phosphorus clusters with “lying” orientation. More importantly, Glu26 residue can stabilize the free calcium and phosphorus clusters, which can prevent not only the dissolution of HAP surface, but also the precipitation of calcium phosphate due to the supersaturated state. This work can help to better understand the process of biomineralization and also provides a guidance for the design of dental restoration materials.
Mechanosynthesis of a Structurally Characterized, Well‐Defined Graphitic Phosphorus‐Linked Carbon Nitride (g‐PCN) with Water Splitting Activity
Authors: Fiss Blaine G. , Douglas Georgia , Ferguson Michael , Becerra Jorge , Valdez Jesus , Do Trong‐On , Friščić Tomislav , Moores Audrey 
Published: October 2022

AbstractGraphitic phosphorus‐linked triazine networks (g‐PCNs) are an emergent class of carbon nitride materials that have attracted attention for their potential role in developing metal‐free water splitting photocatalysts, but remain difficult to access due to complicated synthetic procedures based on long reaction times, high‐temperature annealing (above 500 °C), and poor structural understanding. Here, a mild, lower temperature approach for the synthesis of catalytically active g‐PCN through combining a room‐temperature mechanochemical reaction of sodium phosphide and cyanuric chloride with only 1 h annealing at 300 °C is presented. Notably, this mechanosynthesized material is sufficiently ordered to permit unprecedented structural characterization of a g‐PCN layered solid by combining solid‐state magic angle spinning, nuclear magnetic resonance spectroscopy, X‐ray photoelectron spectroscopy, powder X‐ray diffraction (PXRD), and transmission electron microscopy, supported by dispersion‐corrected density functional theory modeling. The excellent match of experimental 31P MAS NMR and PXRD data with modeling of the structure based on phosphorus‐linked triazine network layers makes the herein described mechanochemically synthesized material the first example of a photocatalytically active, as well as structurally characterized, g‐PCN.
Recent Advances in the Nanomaterials, Design, Fabrication Approaches of Thermoelectric Nanogenerators for Various Applications
Authors: Kim Andrew , Kumar Pawan , Annamalai Pratheep Kumar , Patel Rajkumar 
Published: October 2022

AbstractThermoelectric nanogenerators (TENGs) are promising sustainable energy devices that utilize thermoelectric (TE) effect of nanomaterials to convert a temperature gradient into electrical energy. Compared to bulk thermoelectric generators (TEGs) that are commercially available, TENGs are more flexible and power‐dense, owing to their tuneable nanostructures. Hence, smaller TENGs are better suited for small form‐factor applications like wearable electronics, internet of things (IoT) devices, and self‐powered sensors. However, the higher complexity and cost of TENGs than TEGs inhibit their widespread adoption. This review appraises the latest advances in TENG materials, design, and fabrication in optimizing the performance of TENGs, making TENGs more viable for real‐world applications. More precisely, this work examines how nanostructure engineering, nanomaterial compositing, and post‐synthesis treatment approaches have enhanced the TE properties of common and promising TE materials, including tellurides, selenides, metal oxides, metal alloys, silicon, carbon nanomaterials, and organic compounds. Given that the TE material is a key component in TENGs, this review highlights how to optimize other vital parameters, including the TENG configuration, contact interface, form factor, heat sink use, and folded shape for specific applications. Lastly, critical attributes of TENGs used in wearable electronics, sensors, implantable electronics, solar energy conversion, and waste heat recovery are analyzed.
A Super‐Broadband NIR Dual‐Emitting Mg2SnO4:Cr3+,Ni2+ Phosphor for Ratiometric Phosphor‐Converted NIR Light Source Applications
Authors: Liu Bo‐Mei , Guo Xiao‐Xuan , Huang Lin , Zhou Rong‐Fu , Zou Rui , Ma Chong‐Geng , Wang Jing 
Published: October 2022

AbstractNear‐infrared (NIR) phosphor‐converted light‐emitting diodes (pc‐LEDs) have sparked tremendous interest in NIR spectroscopy. However, conventional NIR pc‐LEDs with a narrow full‐width at half‐maximum (FWHM) and single‐emission block the detection scope and detection accuracy for NIR spectroscopy analysis. Herein, a multicenter strategy is developed for the preparation of blue‐light‐excitable Mg2SnO4:Cr3+,Ni2+ phosphors with NIR dual‐emission (λem = 830/1480 nm, total FWHM = 532 nm). Benefiting from the unique NIR dual‐emission, a ratiometric measurement system with a self‐calibration function is established for highly precise and nondestructive detection. For the first time, a good linear relationship with a detection limit of 0.22 wt.% is achieved for quantitative, non‐invasive detection of water/ethanol mixtures in the field of NIR spectroscopy applications. Additionally, a super‐broadband pc‐LED with a NIR output power of 16.1mW@300 mA is fabricated, demonstrating its applications in high‐penetration imaging and anticounterfeiting. These results provide an approach to achieving NIR dual‐emission phosphor, thereby opening a new avenue for exploring ratiometric NIR spectroscopy techniques.
Thermal Vertical Emitter of Ultra‐High Directionality Achieved Through Nonreciprocal Magneto‐Optical Lattice Resonances
Authors: Shi Kezhang , Xing Yuxin , Sun Yuwei , He Nan , Guo Tingbiao , He Sailing 
Published: October 2022

AbstractKirchhoff's law shows that reciprocal materials have equal spectral emissivity at two symmetric polar angles, which is a fundamental limit for a thermal emitter to achieve a small angular divergence in the normal direction. Nonreciprocal materials allow violation of Kirchhoff's law as the emissivity at the two symmetric polar angles can be different. However, achieving strong nonreciprocal thermal radiation near zero angle is challenging. In this work, to reduce the power consumption of a light source for e.g. gas sensing, an ultra‐high‐directional nonreciprocal thermal vertical emitter is proposed, with a periodic structure of magneto‐optical material. When B = 3 T or 1.5 T, magneto‐optical lattice resonances enable the near‐perfect emissivity at 22.36 µm or 22.99 µm at zero angle. The strong nonreciprocity contributed by the collective modes allows for a near‐complete violation of Kirchhoff's law at small angles of ±1°. The nonreciprocal emitters have a very small angular divergence (≈1°), which is better than that of the state‐of‐the‐art thermal emitters. The highly directional nonreciprocal thermal emission is robust despite ±25% change in material loss and ±5% fluctuation in structural parameters. This work should inspire the design of high‐directional nonreciprocal thermal emitters and their applications in high‐resolution thermal imaging, infrared gas sensing, biomedical breath monitoring, and so on.
Quantitative 3D Characterization for Kinetics of Corrosion Initiation and Propagation in Additively Manufactured Austenitic Stainless Steel
Authors: Li Jianli , Hughes Anthony E. , Yang Y. S. , Laleh Majid , Wang Haipeng , Zhang Xufang , Ma Jie , Xu Wei , Tan Mike Y. 
Published: October 2022

AbstractIn situ X‐ray computed tomography (X‐ray CT) is used to investigate the effects of characteristic microstructural features on the pitting initiation and propagation in austenitic stainless steel specimens prepared with laser powder bed fusion (LPBF) additive manufacturing. In situ X‐ray CT in probing the mechanism and kinetics of localized corrosion is demonstrated by immersing two LPBF specimens with different porosities in an aggressive ferric chloride solution for the evaluation of corrosion. X‐ray CT images are acquired from the specimens after every 8 hours of immersion over an extended period of time (216 hours). Corrosion pit growth is then quantitatively analyzed with a data‐constrained modeling method. The pitting growth mechanism of LPBF stainless steel is found to be different from that of conventional stainless steels. More specifically, the mechanism of corrosion pit initiation is closely correlated with the original lack of fusion porosity (LOF) distribution on the surface of the specimens and preferential pit propagation through the LOF pores inside the specimens. Pit growth kinetics are derived from pit volume changes determined through 3D data analysis. The pit growth kinetics in LPBF specimens are found to vary in the initial pit formation, competitive pit propagation, and the dominant pit growth stages.
Antiferroelectric PbSnO3 Epitaxial Thin Films
Authors: Lai Yu‐Hong , Zheng Jun‐Ding , Lu Si‐Cheng , Wang Yin‐Kuo , Duan Chun‐Gang , Yu Pu , Zheng Yun‐Zhe , Huang Rong , Chang Li , Chu Ming‐Wen , Hsu Ju‐Hung , Chu Ying‐Hao 
Published: October 2022

AbstractIn condensed matter physics, oxide materials show various intriguing physical properties. Therefore, many efforts are made in this field to develop functional oxides. Due to the excellent potential for tin‐based perovskite oxides, an expansion of new related functional compounds is crucial. This work uses a heteroepitaxial approach supported by theoretical calculation to stabilize PbSnO3 thin films with different orientations. The analyses of X‐ray diffraction and transmission electron microscopy unveil the structural information. A typical antiferroelectric feature with double hysteresis and butterfly loops is observed through electrical characterizations consistent with the theoretical prediction. The phase transition is monitored, and the transition temperatures are determined based on temperature‐dependent structural and electrical characterizations. Furthermore, the microscopic antiferroelectric order is noticed under atomic resolution images via scanning transmission electron microscopy. This work offers a breakthrough in synthesizing epitaxial PbSnO3 thin films and comprehensively understanding its anisotropic antiferroelectric behavior.
Manipulating the Migration of Iodine Ions via Reverse‐Biasing for Boosting Photovoltaic Performance of Perovskite Solar Cells
Authors: Huang Keqing , Feng Xiangxiang , Li Hengyue , Long Caoyu , Liu Biao , Shi Jiangjian , Meng Qingbo , Weber Klaus , Duong The , Yang Junliang 
Published: October 2022

AbstractPerovskite solar cells (PSCs) are being developed rapidly and exhibit greatly potential commercialization. Herein, it is found that the device performance can be improved by manipulating the migration of iodine ions via reverse‐biasing, for example, at −0.4 V for 3 min in dark. Characterizations suggest that reverse bias can increase the charge recombination resistance, improve carrier transport, and enhance built‐in electric field. Iodine ions including iodine interstitials in perovskites are confirmed to migrate and accumulate at the SnO2/perovskite interface under reverse‐basing, which fill iodine vacancies at the interface and interact with SnO2. First‐principles calculations suggest that the SnO2/perovskite interface with less iodine vacancies has a stronger interaction and higher charge transfer, leading to larger built‐in electric field and improved charge transport. Iodine ions that may pass through the SnO2/perovskite interface are also confirmed to be able to interact with Sn4+ and passivate oxygen vacancies on the surface of SnO2. Consequently, an efficiency of 23.48% with the open‐circuit voltage (Voc) of 1.16 V is achieved for PSCs with reverse‐biasing, as compared with the initial efficiency of 22.13% with a Voc of 1.10 V. These results are of great significance to reveal the physics mechanism of PSCs under electric field.
Construction of a Band‐Aid Like Cardiac Patch for Myocardial Infarction with Controllable H2S Release
Authors: Li Weirun , Chen Peier , Pan Yuxuan , Lu Ling , Ning Xiaodong , Liu Jiamin , Wei Jintao , Chen Minsheng , Zhao Peng , Ou Caiwen 
Published: October 2022

AbstractExcessive or persistent inflammation incites cardiomyocytes necrosis by generating reactive oxygen species in myocardial infarction (MI). Hydrogen sulfide (H2S), a gaseous signal molecule, can quickly permeate cells and tissues, growing concerned for its cardioprotective effects. However, short resident time and strong side effects greatly restrict its application. Herein, a complex scaffold (AAB) is first developed to slowly release H2S for myocardial protection by integrating alginate modified with 2‐aminopyridine‐5‐thiocarboxamide (H2S donor) into albumin electrospun fibers. Next, a band‐aid like patch is constructed based on AAB (center) and nanocomposite scaffold which comprises albumin scaffold and black phosphorus nanosheets (BPNSs). With near‐infrared laser (808 nm), thermal energy generated by BPNSs can locally change the molecular structure of fibrous scaffold, thereby attaching patch to the myocardium. In this study, it is also demonstrated that AAB can enhance regenerative M2 macrophage and attenuate inflammatory polarization of macrophages via reduction in intracellular ROS. Eventually, this engineered cardiac patch can relieve inflammation and promote angiogenesis after MI, and thereby recover heart function, providing a promising therapeutic strategy for MI treatment.
Achieving Giant Piezoelectricity and High Property Uniformity Simultaneously in a Relaxor Ferroelectric Crystal through Rare‐Earth Element Doping
Authors: Liu Yangbin , Li Qian , Qiao Liao , Xu Zhuo , Li Fei 
Published: October 2022

AbstractThe low uniformity in properties of relaxor ferroelectric crystals is a long‐standing issue in the ferroelectric community, which limits the available volume of the entire crystal boule. The aim of this study is to develop a relaxor ferroelectric crystal with improved property uniformity and excellent piezoelectricity. To this end, Pb(In1/2Nb1/2)O3–Pb(Mg1/3Nb2/3)O3–PbTiO3is doped with Nd2O3(Nd–PIN–PMN–PT) to improve the crystal performance. Along the crystal boule, the piezoelectric coefficientd33varies from 2800 to 3500 pC N−1, and the dielectric constant ranges from 8400 to 9800, with variations of 25% and 16%, respectively. Such high property uniformity results in over 75% available volume of the crystal boule, compared to 30–50% for undoped crystals grown by Bridgman method. At the electric field of 1 kV cm−1, the converse piezoelectric response is up to 4780 pm V−1. In addition, its Curie temperature (TC) and coercive field (EC) are above 150 °C and 3 kV cm−1, respectively. Compared with Pb(Mg1/3Nb2/3)O3–PbTiO3crystal (d33: 1500 pC N−1,TC: 135 °C,EC: 2.3 kV cm−1), the larger piezoelectricity, the higherTCandEC, and improved uniformity make Nd–PIN–PMN–PT crystals promising candidates for advanced piezoelectric applications.
Small Molecular Inhibitors Reverse Cancer Metastasis by Blockading Oncogenic PITPNM3
Authors: Liu Zihao , Shi Yu , Lv Li , Chen Jianing , Jiang WenG. , Li Jun , Lin Qun , Fang Xiaolin , Gao Jingbo , Liu Yujie , Liu Qiang , Xu Xiaoding , Song Erwei , Gong Chang 
Published: October 2022

AbstractMost cancer‐related deaths are a result of metastasis. The development of small molecular inhibitors reversing cancer metastasis represents a promising therapeutic opportunity for cancer patients. This pan‐cancer analysis identifies oncogenic roles of membrane‐associated phosphatidylinositol transfer protein 3 (PITPNM3), which is crucial for cancer metastasis. Small molecules targeting PITPNM3 must be explored further. Here, PITPNM3‐selective small molecular inhibitors are reported. These compounds exhibit target‐specific inhibition of PITPNM3 signaling, thereby reducing metastasis of breast cancer cells. Besides, by using nanoparticle‐based delivery systems, these PITPNM3‐selective compounds loaded nanoparticles significantly repress metastasis of breast cancer in mouse xenograft models and organoid models. Notably, the results establish an important metastatic‐promoting role for PITPNM3 and offer PITPNM3 inhibition as a therapeutic strategy in metastatic breast cancer.
Interfacial Assembly of Ti3C2Tx/ZnIn2S4 Heterojunction for High‐Performance Photodetectors
Authors: Hou Shuping , Xu Chen , Ju Xingkai , Jin Yongdong 
Published: October 2022

AbstractTwo‐dimensional (2D) materials have emerged as prospective candidates for electronics and optoelectronics applications as they can be easily fabricated through liquid exfoliation and used to fabricate various structures by further subsequent processing methods in addition to their extraordinary and unique optoelectronic properties. Herein, the Ti3C2Tx/ZIS heterostructure with nanometer‐thick Ti3C2Tx‐MXene and ZnIn2S4 (ZIS) films is fabricated by successive interfacial assembly of liquid exfoliated 2D MXene and ZnIn2S4 nanoflakes. Benefiting from the superior light‐harvesting capability and low dark current of ZnIn2S4, the limited absorbance, large scattering coefficient, and high dark current disadvantages of MXene are ameliorated. Meanwhile, the separation and transport of photogenerated carriers in ZnIn2S4 are improved due to the excellent electrical conductivity of Ti3C2Tx nanoflakes. As a result, the as‐prepared Ti3C2Tx/ZIS heterostructure photodetector has excellent optoelectronic characteristics in terms of a high responsivity of 1.04 mA W−1, a large specific detectivity up to 1 × 1011 Jones, a huge on/off ratio at around 105, and an ultralow dark current at ≈10−12 A. This work demonstrates a convenient method to construct heterostructured photodetectors by liquid exfoliated 2D nanoflakes, the as‐fabricated Ti3C2Tx/ZIS heterostructured photodetectors show promising application potential for low‐cost, reliable, and high‐performance photodetectors.
Ultrafast Racetrack Based on Compensated Co/Gd‐Based Synthetic Ferrimagnet with All‐Optical Switching
Authors: Li Pingzhi , Kools Thomas J. , Koopmans Bert , Lavrijsen Reinoud 
Published: October 2022

AbstractSpin‐orbitronics and single pulse all‐optical switching (AOS) of magnetization are two major successes of the rapidly advancing field of nanomagnetism in recent years, with high potential for enabling novel, fast, and energy‐efficient memory and logic platforms. Fast current‐induced domain wall motion (CIDWM) and single shot AOS have been individually demonstrated in different ferrimagnetic alloys. However, the stringent requirement for their composition control makes these alloys challenging materials for wafer scale production. Here, fast CIDWM and energy efficient AOS in a synthetic ferrimagnetic system based on multilayered [Co/Gd]2 are simultaneously demonstrated. First, it is shown that AOS is present in its full composition range. It is found that current‐driven domain wall velocities over 2000 m s‐1 at room temperature, achieved by compensating the total angular momentum through layer thickness tuning. Furthermore, analytical modeling of the CIDWM reveals that Joule heating needs to be treated transiently to properly describe the CIDWM for our sub‐ns current pulses. The studies establish [Co/Gd]‐based synthetic ferrimagnets to be a unique materials platform for domain wall devices with access to ultrafast single pulse AOS.
Designing Wake‐Up Free Ferroelectric Capacitors Based on the HfO2/ZrO2 Superlattice Structure
Authors: Bai Na , Xue Kan‐Hao , Huang Jinhai , Yuan Jun‐Hui , Wang Wenlin , Mao Ge‐Qi , Zou Lanqing , Yang Shengxin , Lu Hong , Sun Huajun , Miao Xiangshui 
Published: October 2022

AbstractThe wake‐up phenomenon widely exists in hafnia‐based ferroelectric capacitors, which causes device parameter variation over time. Crystallization at a higher temperature has been reported to be effective in eliminating wake‐up, but high temperature may yield the monoclinic phase or generate more oxygen vacancies. In this work, a unidirectional annealing method is proposed for the crystallization of Hf0.5Zr0.5O2 (HZO) superlattice ferroelectrics, which involves heating from the Pt/ZrO2 interface side. It is demonstrated that 600 °C annealing only leads to a moderate content of monoclinic phase in HZO, and the TiN/HZO/Pt capacitor exhibits wake‐up free nature and a switchable remnant polarization value of 27.4 µC cm−2. On the other hand, heating from the TiN/HfO2 side, or using 500 °C annealing temperature, could yield ferroelectric devices that require a wake‐up process. The special configuration of Pt/ZrO2 is verified by comparative studies with several other superlattice structures and HZO solid‐state solutions. It is discovered that heating from the Pt/HfO2 side at 600 °C leads to high leakage current and a memristor behavior. The mechanisms of ferroelectric phase stabilization and memristor formation have been discussed. The unidirectional heating method can also be useful for other hafnia‐based ferroelectric devices.