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Organic small-molecule luminescent materials have high fluorescence quantum efficiency, are easy to purify, and show advantages related to brightness. However, the low mobility of hole carriers hinders their practical applications. To obtain luminescent materials with high fluorescence quantum efficiency, we investigated organic small-molecule thiophene oligomers with electron-donating or electron-accepting substituents at the terminal groups using the density functional theory. Compared with the electron-donating groups (–NH2, –CH3, –C2H5, and –C3H7), the electron-withdrawing groups (–NO2 and –COOH) resulted in unusual electronic and photoluminescent properties. The ultraviolet spectra of the thiophene oligomer derivatives could be modulated in the range of 200–500 nm, making them suitable for application in organic light-emitting devices. In particular, the group with the strongest electron-withdrawing effect (–NO2) resulted in blue light emission in the wavelength range of 400–480 nm, suitable for application in blue chips. Finally, the calculation results show that the donor–acceptor-modified oligomers are worthy of synthesis due to their relatively high electron mobilities. [ABSTRACT FROM AUTHOR]

Two-dimensional (2D) antimonene has triggered a wide range of interest owing to its unique structure and physical properties. Van der Waals heterostructures, which integrate two or more different materials with weak interactions between the layers, offer more degrees of freedom for designing functional materials. Very recently, 2D antimonene-based van der Waals heterostructures have inspired extensive research enthusiasm in various fields. Here, we systematically summarize the band alignment types and regulation strategies of interfacial properties for 2D antimonene-based heterostructures and the state-of-the-art current applications, including electronic and optoelectronic devices, catalysis, energy storage, and the biomedical field. Finally, we discuss the opportunities and challenges and put forward the prospects of 2D antimonene-based heterostructures. [ABSTRACT FROM AUTHOR]

In recent years, perovskite light-emitting diodes (PeLEDs) have developed rapidly with the highest external quantum efficiency exceeding 20%. Their unbalanced carrier injection and non-radiative recombination assisted by defects lead to the destruction of perovskite crystal structures and poor device stability, which hinders their commercialization process. Thus, to understand the origin of device performance, the key is to figure out the charge-carrier dynamics of the devices. In this review, the charge-carrier dynamics of perovskites are discussed, including radiative and non-radiative recombination, together with the various passivation strategies. Second, we focus on the interfacial carrier dynamics and its influence on device performance. Various strategies to improve the injection balance have been implemented to address the inherent challenges associated with PeLEDs. Last but not least, the characterization techniques of PeLEDs are provided to study the carrier dynamics of PeLEDs. [ABSTRACT FROM AUTHOR]

Halide perovskites have been one of the most promising research hotspots in the optoelectronic field. Recently, the issue of ion migration has been proved to be of great significance to their long-term stability and performance of optoelectronic devices. However, the stability of perovskite Cs2SnX6 (X = I, Br, Cl) under the light or electric field conditions has not been explored. In this work, we reported halide ion migration in lead-free all‐inorganic perovskite Cs2SnX6. The calculated formation energy to some degree reveals the concentration of the halide vacancy, which provides the favorable conditions for halide ion migration. Importantly, the theoretical long-term ion migration barriers are investigated to be higher than 1.00 eV, indicating they are relatively stable compared to CsPbX3, and the computational result matches the experimental result with the Nernst−Einstein relation that we adopted. The halogen ion migration energy barrier is 0.91 eV under the bias of 5 V, indicating that the perovskite Cs2SnX6 is relatively stable under a certain electric field. Furthermore, the experimental comparison of XRD results demonstrate that perovskite Cs2SnX6 has no obvious ion migration under certain light conditions. Finally, the analysis results show the Sn–X bond strength that explains the cause of such high barriers. These results reveal the migration mechanism of halide ions and provide new impetus for their optoelectronic applications. [ABSTRACT FROM AUTHOR]

The nanoscale electrical properties of self-assembled GeSi quantum rings (QRs) were investigated by conductive scanning probe microscopy at room temperature. The current distribution of individual GeSi QRs measured by conductive atomic force microscopy (CAFM) shows a low conductivity at the central hole as compared to the rim; however, the QRs' composition distribution obtained by selective chemical etching combined with AFM observation reveals that within the QRs' central holes, the Ge content is high, which should lead to a high conductivity instead of a low one as observed. Together with the results obtained by scanning capacitance microscopy (SCM) and electrostatic force microscopy (EFM), it is supposed that the GeSi QRs' electrical properties are mainly determined by the ring-shaped topography, rather than by the complete oxidation of the QRs' central hole or their composition distributions. [ABSTRACT FROM AUTHOR]

Using a continuum model, expressions for the elastic energy, defect energy, structure entropy, and mixing entropy of carbon nanocones are proposed analytically. The optimal conformation of carbon nanocones is studied by imposing minimization of free energy and analyzing the effects that the buckling of a nanocone’s walls have during formation. The model explains the experimentally observed preference of 19.2° for the cone angle of carbon nanocone. Furthermore, it predicts the optimal conformation of carbon nanocones to result in a cone angle of 19.2°, radius of 0.35 nm, and critical length of 24 nm, all of which agree very well with experimental observations. [ABSTRACT FROM AUTHOR]

We report the magneto-optical (MO) rotation effect in a periodic graphene-sheet structure. Due to the masslessness of carriers in graphene, the magnetic response is very sensitive and the magneto-optical rotation effect is therefore significant. We predict that the Verdet constant of the periodic graphene-sheet structure is roughly 10-100 times that of rare-earth-doped magneto-optical glass in the infrared region. [ABSTRACT FROM AUTHOR]