Detection of opinion leaders: Static vs. dynamic evaluation in online learning communities.

Opinion leaders play a critical role in maintaining the functioning of online communities. This study aims to detect opinion leaders in online learning communities by evaluating the influence of users within the community. We use Baidu Post Bar's Python learning community as an example and employ the catastrophe progression method to statically evaluate the influence of users in three dimensions: user creativity, user posting quality, and user online interaction. Based on this, we introduce the dual-incentive control line to dynamically evaluate users' influence from 2016 to 2020 regarding speed change characteristics, thus scientifically detecting opinion leaders in online learning communities. Compared to the static evaluation method, the results show that our proposed dynamic evaluation method can more effectively reveal the dynamic development trend of users' influence, thus accurately detecting opinion leaders. Moreover, this "invisible" development trend is fully reflected in the setting of the dual-incentive control line.

Bio-Inspired Pangolin Design for Self-Healable Flexible Perovskite Light-Emitting Diodes.

Despite tremendous developments in the luminescene performance of perovskite light-emitting diodes (PeLEDs), the brittle nature of perovskite crystals and their poor crystallinity on flexible substrates inevitably lead to inferior performance. Inspired by pangolins' combination of rigid scales and soft flesh, we propose a bionic structure design for self-healing flexible PeLEDs by employing a polymer-assisted crystal regulation method with a soft elastomer of diphenylmethane diisocyanate polyurethane (MDI-PU). The crystallinity and flexural strain resistance of such perovskite films on plastics with silver-nanowire-based flexible transparent electrodes are highly enhanced. The detrimental cracks induced during repeated deformation can be effectively self-healed under heat treatment via intramolecular/intermolecular hydrogen bonds with MDI-PU. Upon collective optimization of the perovskite films and device architecture, the blue-emitting flexible PeLEDs can achieve a record external quantum efficiency of 13.5% and high resistance to flexural strain, which retain 87.8 and 80.7% of their initial efficiency after repeated bending and twisting operations of 2000 cycles, respectively.

CsPbBr3 microarrays with tunable periodicity, optoelectronic and field emission properties using self-assembled polystyrene template and co-evaporation method.

The booming growth of all inorganic cesium lead halide perovskites in optoelectronic applications has prompted extensive research interest in the fabrication of ordered nanostructures or microarrays for enhanced device performances. However, the high cost and complexity of commercial lithographic approaches impede the facile fabrication of perovskite microarrays. Herein, CsPbBr3 microarrays with tunable periodicities have been fabricated using a self-assembled polystyrene nanosphere template and a co-evaporation method. The periodicity of CsPbBr3 microarrays is precisely manipulated by simply modifying the size of polystyrene nanospheres. These microarrays are beneficial for light harvesting, leading to better light absorption ability and prolonged photoinduced carrier lifetime. The longest average carrier lifetime of 58.3 ns is obtained for CsPbBr3 microarrays with a periodicity of 1.0 µm. More importantly, the periodic structures of CsPbBr3 microarrays result in a tunable density of emitter tips in field emission devices. Compared to compact CsPbBr3 films, a 68.2% decrease of the turn-on field is observed for CsPbBr3 microarrays when the periodicity is 150 nm. The higher density of emitter tips leads to larger local field enhancement, and hence the largest field enhancement factor of 3346.6. Finally, a good emission current stability for CsPbBr3 microarray-based field emission devices has been demonstrated.

Research on the Relationship Between Cross-Level Motivation, Integrated Emotion, and Virtual Knowledge Community Commitment.

Community commitment is the key to the success of virtual communities. Under the background of virtual knowledge community, based on motivation hierarchy model and integrated emotion theory, this paper takes "motivation-emotion-community commitment" as the main framework, and introduces multiple mediation and regulation functions to establish the relationship model of motivation hierarchy, integrated emotions, and community commitment. The results show that the user motivation follows the hierarchical structure of the layer-by-layer influence from the situational level to the personality level, that is, knowledge-seeking motivation and entertainment-seeking motivation at a situational level will positively affect social- interaction motivation at the contextual level, thereby enhancing user self-efficacy at personality level. Users have abundant integrated emotions toward the virtual knowledge community, namely, satisfaction, attachment, and identity, and such multi-integrated emotional model is more conducive for promoting community commitment of users. At the same time, attachment, identity, and satisfaction have an interactive complement, that is, when satisfaction is low, attachment and identity will complement and strengthen community commitment.

Male and Female Users' Differences in Online Technology Community Based on Text Mining.

With the emergence of online communities, more and more people are participating in online technology communities to meet personalized learning needs. This study aims to investigate whether and how male and female users behave differently in online technology communities. Using text data from the Python Technology Community, through the LDA (Latent Dirichlet Allocation) model, sentiment analysis, and regression analysis, this paper reveals the different topics of male and female users in the online technology community, their sentimental tendencies and activity under different topics, and their correlation and mutual influence. The results show the following: (1) Male users tend to provide information help, while female users prefer to participate in the topic of making friends and advertising. (2) When communicating in the technology community, male and female users mostly express positive emotions, but female users express positive emotions more frequently. (3) Different emotional tendencies of male and female users under different topics have different effects on their activity in the community. The activity of female users is more susceptible to emotional orientation.

Native Oxide Seeded Spontaneous Integration of Dielectrics on Exfoliated Black Phosphorus.

Two-dimensional (2D) semiconductors have been a central focus for next-generation electronics and optoelectronics owing to their great potential to extend the scaling limits in a silicon transistor. However, due to the lack of surface dangling bonds in most 2D semiconductors, such as graphene and transition metal dichalcogenides (TMDs), the direct growth of the high-κ film on these 2D materials via an atomic layer deposition (ALD) technique often produces dielectrics with poor quality, which hinders their integration in the modern semiconductor industry. Here, we comprehensively investigate the ALD growth of the Al2O3 layer on 2D exfoliated black phosphorus (BP). Intriguingly, we found that the 2D BP with "silicon-like" characteristics possesses a native surface oxide layer PxOy after air exposure. The PxOy-induced surface dangling bonds enable the spontaneous integration of the high-quality Al2O3 layer on the BP flake without any pretreatments to functionalize the surface. Additionally, the Al2O3 layer could effectively passivate BP to prevent its degradation in ambient conditions, which addresses the most serious problem of the BP material. Moreover, the Al2O3-encapsulated BP field-effect transistor (FET) exhibits good electrical transport performance, with a high hole mobility of ∼420 cm2 V-1 s-1 and electron mobility of ∼80 cm2 V-1 s-1. Moreover, the high-quality Al2O3 layer can also be integrated into the top-gated BP transistor and inverter. Our findings reveal the silicon-like characteristics of BP for the high-κ ALD dielectric growth technology, which promises the seamless integration of 2D BP in the modern semiconductor industry.

Molecular-Scale Investigation of the Thermal and Chemical Stability of Monolayer PTCDA on Cu(111) and Cu(110).

Perylene-3,4,9,10-tetracarboxylic dianhydride (PTCDA) has been intensively investigated for decades because of its unique electronic and optical properties and its applications in organic electronics and surface engineering and passivation of 2D materials. Recently, the high demand for achieving selective area deposition in device fabrications drives the research of utilizing organic molecules as a passivation layer on metals in the semiconductor industry. PTCDA molecules show promising potential to be used as a passivation layer on a metal surface because of their ability to form self-assembled compact lying-down layers with the well-exposed inert conjugated molecular π-plane. However, the thermal and chemical stabilities of monolayer PTCDA on metal surfaces have not been thoroughly studied. In this paper, we demonstrate that monolayer PTCDA on Cu(110) and Cu(111) surfaces exhibit good thermal and chemical stabilities, as revealed through the combination of in situ X-ray photoelectron spectroscopy and in situ low-temperature scanning tunneling microscopy measurements. We show that monolayer PTCDA on copper is stable up to 220 °C and decomposes to perylene at higher temperature. Monolayer PTCDA also shows good chemical stability when exposed to O2 and water, demonstrating good potential for its future applications as passivation layers in selective area deposition.

Enhanced photoresponse of epitaxially grown ZnO by MoO3 surface functionalization.

ZnO has broad applications in optoelectronic devices, including ultraviolet light emitters and photodetectors. Herein we report the impact of MoO3 surface functionalization on the photoresponse of epitaxially grown ZnO. Under illumination with 350 nm UV light, the photocurrent of ZnO is found to be enhanced by 2.87 times after the deposition of 0.2 nm MoO3. As corroborated by in situ ultraviolet photoelectron spectroscopy and X-ray photoelectron spectroscopy results, the enhanced photoresponse derives from MoO3 related gap states within the band gap of ZnO and larger upward band bending at the interface, which is attributed to the strong electron transfer from ZnO to MoO3. Moreover, photoluminescence results reveal that the recombination probability of the photo-generated charge carriers in ZnO is reduced after MoO3 surface functionalization.

Theoretical Study on the Aggregation of Copper Clusters on a Liquid Surface.

The ground state structures of copper clusters with different sizes along with their aggregation have been systematic investigated using Amsterdam Density Functional (ADF) and Atomistix ToolKit (ATK) programs. On the basis of geometry optimization, some Cu clusters with more stable structures which were not reported previously have been revealed. In most cases, these Cu clusters prefer to adopt icosahedral structures which originate from the 13-atom icosahedron. It has also been demonstrated that the interaction between two Cu clusters is anisotropic, which is attributed to their charge distribution, especially the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) of Cu clusters. Moreover, we have carried out the simulation of Cu clusters aggregation on the silicone oil substrate by means of Monte Carlo (MC) method, which shows good consistence with our previous experimental studies.

Impact of Graphene Work Function on the Electronic Structures at the Interface between Graphene and Organic Molecules.

The impact of graphene work function (WF) on the electronic structure at the graphene/organic interface has been investigated. WF manipulation of graphene is realized using self-assembled monolayers (SAMs) with different end groups. With this method, the upper surface of the functionalized graphene remains intact, and thus precludes changes of molecular orientation and packing structures of subsequently deposited active materials. The WF of NH2-SAM functionalized graphene is ~3.90 eV. On the other hand, the WF of graphene increases to ~5.38 eV on F-SAM. By tuning the WF of graphene, an upward band bending is found at the ZnPc/graphene interface on F-SAM. At the interface between C60 and NH2-SAM modified graphene, a downward band bending is observed.

Impact of MoO3 interlayer on the energy level alignment of pentacene-C60 heterostructure.

Using in situ ultraviolet photoelectron spectroscopy, the electronic structure evolutions at the interface between pentacene and fullerene (C60), a classical organic donor-acceptor heterostructure in organic electronic devices, on indium-tin oxide (ITO) and MoO3 modified ITO substrates have been investigated. The insertion of a thin layer MoO3 has a significant impact on the interfacial energy level alignment of pentacene-C60 heterostructure. For the deposition of C60 on pentacene, the energy difference between the highest occupied molecular orbital of donor and the lowest unoccupied molecular orbital of acceptor (HOMO(D)-LUMO(A)) offset of C60/pentacene heterostructure increased from 0.86 eV to 1.54 eV after the insertion of a thin layer MoO3 on ITO. In the inverted heterostructrure where pentacene was deposited on C60, the HOMO(D)-LUMO(A) offset of pentacene/C60 heterostructure increased from 1.32 to 2.20 eV after MoO3 modification on ITO. The significant difference of HOMO(D)-LUMO(A) offset shows the feasibility to optimize organic electronic device performance through interfacial engineering approaches, such as the insertion of a thin layer high work function MoO3 films.

Evolution of the SrTiO3-MoO3 Interface Electronic Structure: An in Situ Photoelectron Spectroscopy Study.

Modifying the surface energetics, particularly the work function of advanced materials, is of critical importance for a wide range of surface- and interface-based devices. In this work, using in situ photoelectron spectroscopy, we investigated the evolution of electronic structure at the SrTiO3 surface during the growth of ultra-thin MoO3 layers. Because of the large work function difference between SrTiO3 and MoO3, the energy band alignment on the SrTiO3 surface is significantly modified. The charge transfer and dipole formation at the SrTiO3-MoO3 interface leads to a large modulation of work function and to apparent doping in SrTiO3. The measured evolutions of electronic structure and upward band bending suggest that the growth of ultra-thin MoO3 layers is a powerful tool with which to modulate the surface energetics of SrTiO3, and this surface engineering approach could be generalized to other functional oxides.

Low temperature critical growth of high quality nitrogen doped graphene on dielectrics by plasma-enhanced chemical vapor deposition.

Nitrogen doping is one of the most promising routes to modulate the electronic characteristic of graphene. Plasma-enhanced chemical vapor deposition (PECVD) enables low-temperature graphene growth. However, PECVD growth of nitrogen doped graphene (NG) usually requires metal-catalysts, and to the best of our knowledge, only amorphous carbon-nitrogen films have been produced on dielectric surfaces by metal-free PECVD. Here, a critical factor for metal-free PECVD growth of NG is reported, which allows high quality NG crystals to be grown directly on dielectrics like SiO2/Si, Al2O3, h-BN, mica at 435 °C without a catalyst. Thus, the processes needed for loading the samples on dielectrics and n-type doping are realized in a simple PECVD, which would be of significance for future graphene electronics due to its compatibility with the current microelectronic processes.

Electrostatic self-assembly of BiVO4-reduced graphene oxide nanocomposites for highly efficient visible light photocatalytic activities.

It is commonly considered that the morphology and interface of semiconductor-reduced graphene oxide (rGO) composite photocatalysts play a crucial role in determining their photocatalyzing performance. Herein, we report on the design and synthesis of BiVO4-rGO nanocomposites with efficient interfacial contact by self-assembly of positively charged amorphous BiVO4 powders with negatively charged graphene oxide (GO), followed by a one-step GO reduction and BiVO4 crystallization via hydrothermal treatment. The as-prepared BiVO4-rGO nanocomposites exhibit high visible light photocatalytic efficiency for the degradation of model dyes, and are significantly superior to bare crystalline BiVO4 and BiVO4-rGO-U that is hydrothermally synthesized using the mixture of GO nanosheets and BiVO4 powders without modification of surface charge. Using multiple characterization techniques, we found that the enhanced photocatalytic performance of BiVO4-rGO arises from the synergistic effects between the microscopic crystal structure of BiVO4 with smaller particle size and more sufficient interfacial interaction between BiVO4 and graphene sheets, leading to increased photocatalytic reaction sites, extended photoresponding range, enhanced photogenerated charge separation, and transportation efficiency. This work may provide a rational and convenient strategy to construct highly efficient semiconductor-rGO nanocomposite photocatalysts with well-contacted interface toward environmental purification and solar energy conversion.

Manipulating the charge transfer at CuPc/graphene interface by O2 plasma treatments.

The manipulation of charge transfer at CuPc/graphene interface has been demonstrated by treating pristine graphene with O2 plasma. As revealed by in situ ultraviolet photoelectron spectroscopy measurements, a much stronger interfacial charge transfer occurs when the pristine graphene is exposed to O2 plasma prior to the growth of CuPc films, which is attributed to the increased work function of graphene after O2 plasma treatment. Moreover, the highest occupied molecular orbital leading edge of CuPc locates at ∼0.80 eV below substrate Fermi level on O2 plasma treated graphene, whereas it locates at ∼1.10 eV on pristine graphene. Our findings provide detailed information regarding the electronic structure at CuPc/graphene and CuPc/O2 plasma treated graphene interfaces. The increased work function in combination with the relatively smaller energy offset between the highest occupied molecular orbital of CuPc and Fermi level of O2 plasma treated graphene facilitates the extraction of holes at the interface, and hence paves the way for improving the performance of graphene-based organic photovoltaic cells.

Electronic and structural properties at the interface between iron-phthalocyanine and Cu(110).

Electronic structure and adsorption geometry of Iron-Phthalocyanine (FePc) adsorbed on Cu(110) were investigated by using ultraviolet photoelectron spectroscopy (UPS) and first-principles density functional theory (DFT) calculations. The emission features α, ß, γ, and δ originating from the FePc molecules in UPS spectra are located at 3.42, 5.04, 7.36, and 10.28 eV below Fermi level. The feature α is mostly deriving from Fe 3d orbital with some contributions from C 2p orbital. A considerable charge transfer from the Cu substrate to the Fe 3d orbital occurs upon the adsorption of FePc molecules. The angle-resolved UPS measurements indicate that FePc molecules adopt lying-down configurations with their molecular plane nearly parallel to the Cu(110) substrate at monolayer stage. In combination with the DFT calculations, the adsorption structure is determined to be that FePc molecule adsorbs on the top site of Cu(110) with an angle of 45° between the lobes of FePc and the [110] azimuth of the substrate.

Hard corona composition and cellular toxicities of the graphene sheets.

Graphene nanomaterials are recognized as one of the most promising nanomaterials because of their unique and highly attractive physicochemical properties (e.g., thermal conductivity, superlative mechanical strength, and ultrahigh surface-to-volume ratios). It is well established that when nanomaterials interact with biological medium, biomolecules and in particular proteins attach to their surfaces, which form a complex between surface of nanoparticles and proteins called corona. Thus, the interaction of the biological system with the nanomaterials depends on the composition of the protein layer, rather than the surface characteristics of the nanomaterials itself. Although there is a significant increase of interest in the application of graphene in medical science, there has been a little attention to the nanotoxicological aspects of these newly developed materials. For this reason, we aimed to investigate whether the effect of the interactions between graphene-sheets with various human plasma concentrations (i.e. both in vitro (cells/tissues) and in vivo simulating states) is toxic. The results showed that by increasing the human plasma concentration, the affinity of proteins with low molecular weights to graphene-sheets surface is significantly increased. Fluorescence microscopy of Hela and Panc-1 cell lines showed a reduction of nuclei number and an increase of reactive oxygen species (ROS) production respectively after a longer incubation of graphene-sheets with plasma proteins. ROS production was higher in Panc-1 cell line, when used as protein source for graphene-sheets than HeLa cell line.

Large-size linear and star-shaped dihydropyrazine fused pyrazinacenes.

Linear and star-shaped pyrazinacenes 1a-b and 2 were synthesized via condensation between a new building block 11 and pyrene tetraones or cyclohexaone. Compound 2 represents the largest star-shaped dihydropyrazine fused pyrazinacene reported so far. These largely expanded pyrazinacenes show good solubility and have a strong tendency to aggregate in both solution and thin films, indicating their potential applications for organic electronic devices.

The initial growth behavior of perylene on Cu(100).

Using scanning tunneling microscopy (STM) together with density functional theory (DFT) the growth behavior of perylene on the Cu(100) substrate has been investigated. As revealed by STM images, perylene molecules prefer to adopt lying configuration with their molecular plane parallel to the substrate, and two symmetrically equivalent ordered domains were observed. DFT calculations show that perylene molecule prefers to adsorb on the top site of substrate Cu atoms with its long molecular axis aligning along the [011] or [01-1] azimuth of the substrate which is the most stable adsorption geometry according to its highest binding energy. Consequently, two adsorption structures of c(8×4) and c(8×6), each containing two perylene molecules per unit cell, are proposed based on our STM images. The growth mechanism for ordered perylene domains on Cu(100) can be attributed to the balance between weak adsorbate-adsorbate interaction and comparable adsorbate-substrate interaction.

The chemisorption of tetracene on Si(100)-2x1 surface.

The adsorption of tetracene on Si(100)-2x1 substrate has been studied by ultraviolet photoemission spectroscopy (UPS). Six features deriving from the organic material are located at 1.22, 2.41, 3.63, 4.67, 7.11, and 8.77 eV below the Fermi level. These features shift in binding energy with increasing the thickness of the organic film. In the case of a monolayer, angle-resolved UPS measurements suggest that the molecular plane is parallel to the substrate. Further theoretical density functional theory calculation reveals the most stable structure of tetracene molecule on Si substrate in which six covalent Si-C chemical bonds are formed between carbon atoms of the tetracene molecule and the Si atoms on the substrate.