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System co-sensitization and extension of the π-conjugated system are recognized as two key strategies for improving the performance of dye-sensitized solar cells (DSSCs). In this study, density functional theory (DFT) was employed to simulate two experimentally synthesized molecules, RK1 and D205, and to evaluate the performance of their co-sensitization system. Furthermore, molecular design was c

Gold particles are commonly used as catalysts in the vapor-liquid-solid (VLS) growth of GaAs nanowires, but the incorporation of gold into the nanowires can negatively affect their electronic and optical properties. In this work, we investigate the equilibrium concentration of Au in GaAs nanowires using density functional theory calculations combined with thermodynamically assessed chemical potent

Based on Marcus theory, the photoinduced electron transfer properties of D-A type non-fullerene acceptor organic solar cells (OSCs) under the dependence of external electric field (Fext) were investigated. The research results shown that the charge transfer mode under different Fext intensities changes with certain regularity. Focusing on the important parameters (ΔG, λ, and VDA) that affect the c

Genes encoding B lineage–restricted transcription factors are frequently mutated in B-lymphoid leukemias, suggesting a close link between normal and malignant B-cell development. One of these transcription factors is early B-cell factor 1 (EBF1), a protein of critical importance for lineage specification and survival of B-lymphoid progenitors. Here, we report that impaired EBF1 function in mouse B

In polaritons, the properties of matter are modified by mixing the molecular transitions with light modes inside a cavity. Resultant hybrid light-matter states exhibit energy level shifts, are delocalized over many molecular units, and have a different excited-state potential energy landscape, which leads to modified exciton dynamics. Previously, non-Hermitian Hamiltonians have been derived to des

Reducing the excitation threshold to minimize the Joule heating is critical for the realization of perovskite laser diodes. Although bound excitons are promising for low threshold laser, how to generate them at room temperature for laser applications is still unclear in quasi-2D perovskite-based devices. In this work, via engineering quasi-2D perovskite PEA2(CH3NH3)n-1PbnBr3n+1 microscopic grains

The size tunable color of colloidal semiconductor quantum dots (QDs) is probably the most elegant illustration of the quantum confinement effect. As explained by the simple “particle-in-a-box” model, the transition energies between the levels increase when the “box” becomes smaller. To investigate quantum confinement effects, typically a well-defined narrow size distribution of the nanoparticles i

Using Marcus theory, the electric-field-dependent charge-separation dynamics of non-fullerene acceptors D/A heterojunctions are simulated. On the D/A interface, the excited-state characteristics show obvious differences under different electric field intensities, providing microscopic details of the non-fullerene D/A interface at the atomic level. For different electric field conditions, so the ca

Perovskite thin films hold great promise for optoelectronic applications, such as solar cells and light-emitting diodes. One challenge is the inevitable formation of defects in the material. A thorough understanding of the defect formation and its dynamics has proven difficult based on traditional spectroscopy. Here, we have integrated functional intensity modulation two-photon spectroscopy with a

Two-dimensional electronic spectroscopy (2DES) is a popular technique that can track ultrafast coherent and incoherent processes in real time. Since its development in the late 1990s, 2DES has become a powerful tool for investigating ultrafast dynamics in a range of systems, including nanomaterials and optoelectronic devices. This Primer explains the underlying physical principles of 2DES and how

The concept of hot carrier solar cells (HCSCs) has been proposed as a promising yet elusive path toward high-performance photovoltaics (PV), capable of surpassing the Shockley-Queisser limit by recycling energy that would otherwise be lost during thermalization. Lead halide perovskites (LHPs) have emerged as highly promising materials for PV applications. The reports of slow hot carrier (HC) cooli

The donor (BTR-Cl) and acceptor (BTP-FCl-FCl) have well-defined small molecule properties and excellent repeatability, and they can form charge transfer complexes with a wide spectral absorption range. Using density functional theory (DFT), we simulate the photoinduced charge transfer of bulk-heterojunction (BHJ) organic solar cell (OSC) materials modulated by the external electric field (Fext) at

Understanding high-order biexciton dynamics is important for the use of semiconductor quantum dots (QDs) in optoelectronic devices. The core–shell structure can be used to modulate biexciton dynamics by varying the shell thickness and core–shell energy band alignment. In this study, the biexciton dynamics in an unconventional case in which each QD is encapsulated by a submonolayer shell are demons

Understanding the mechanisms governing interfacial charge transfer in photoactive layer is crucial for optimizing photogenerated charge separation efficiency. In this study, the interfacial charge transfer process is regulated by applying external electric field (Fext) and ternary hydrogen bonding strategies. We observe significant changes in the excited state properties and charge transfer parame

In organic solar cells (OSCs), comprehending the charge transfer mechanism at D/A interfaces is crucial for photoinduced charge generation and enhancing power conversion efficiency (PCE). The charge transfer mechanism and photovoltaic performance of the parallel stacking interface configuration of the PTQ10 polymer donor and T2EH non-fullerene acceptor (NFA) are systematically studied at the micro

With the explosive growth of communication traffic, increasing the modulation bandwidth of semiconductor lasers has attracted significant attention. However, after rapid progress is achieved, further increasing the modulation bandwidth of semiconductor lasers is hampered by the slow charge-carrier dynamics. Here, a room temperature, single-mode perovskite nanolaser with sub-picosecond pulses, enab

Environmentally friendly InP-based quantum dots (QDs) are promising for light-emitting diodes (LEDs) and display applications. So far, the synthesis of highly emitting InP-based QDs via safe and economically viable amine-phosphine remains a challenge. Herein, we report the synthesis of amine-phosphine based InP/ZnSe/ZnS QDs by introducing an alloyed oxidation-free In-ZnSe transition layer (TL) at

Effectively identifying deviations in real-world medical time-series data is a critical endeavor, essential for early surveillance of disease outbreaks. This paper demonstrates the integration of time-series anomaly detection techniques to develop surveillance systems for disease outbreaks. Utilizing data from Sweden's telephone counseling service (1177), we first illustrate the trends in physical

Complex diseases are caused by a combination of genetic, lifestyle, and environmental factors and comprise common noncommunicable diseases, including allergies, cardiovascular disease, and psychiatric and metabolic disorders. More than 25% of Europeans suffer from a complex disease, and together these diseases account for 70% of all deaths. The use of genomic, molecular, or imaging data to develop

Fluorescence lifetime determination has proven to be useful, e.g. identification of molecules, quantitative estimation of species concentration and determination of temperatures. Lifetime determination of exponentially decaying signals is challenging if signals of different decay rates are being mixed, resulting in erroneous results. Such issues occur when the contrast of the measurement object is