Buried Interface Modulation Using Self-Assembled Monolayer and Ionic Liquid Hybrids for High-Performance Perovskite and Perovskite/CuInGaSe Tandem Photovoltaics.

Effective modifications for the buried interface between self-assembled monolayers (SAMs) and perovskites are vital for the development of efficient, stable inverted perovskite solar cells (PSCs) and their tandem photovoltaics. Herein, an ionic-liquid-SAM hybrid strategy is developed to synergistically optimize the uniformity of SAMs and the crystallization of perovskites above. Specifically, an ionic liquid of 1-butyl-3-methyl-1H-imidazol-3-iumbis((trifluoromethyl)sulfonyl)amide (BMIMTFSI) is incorporated into the SAM solution, enabling reduced surface roughness, improved wettability, and a more evenly distributed surface potential of the SAM film.

MacGen: A Web Server for Structure-Based Macrocycle Design.

Macrocyclization is a critical strategy in rational drug design that can offer several advantages, such as enhancing binding affinity, increasing selectivity, and improving cellular permeability. Herein, we introduce MacGen, a web tool devised for structure-based macrocycle design. MacGen identifies exit vector pairs within a ligand that are suitable for cyclization and finds 3D linkers that can align with the geometric arrangement of these pairs to form macrocycles.

Two-Dimensional Topological Platinum Telluride Superstructures with Periodic Tellurium Vacancies for Efficient and Robust Catalysis.

Defect engineering in the inherently inert basal planes of transition metal dichalcogenides (TMDs), involving the introduction of chalcogen vacancies, represents a pivotal approach to enhance catalytic activity by exposing high-density catalytic metal single-atom sites. However, achieving a single-atom limit spacing between chalcogen vacancies to form ordered superstructures remains challenging for creating uniformly distributed high-density metal single-atom sites on TMDs comparable to carbon-supported single-atom catalysts (SACs). Here we unveil an efficient TMD-based topological catalyst for hydrogen evolution reaction (HER), featuring high-density single-atom reactive centers on a few-layer (7 × 7)-PtTe superstructure.

Expanding the Notch Region by Adjusting the Copper Growth Profile for High-Efficiency Flexible Cu(In,Ga)Se Solar Cells.

Flexible CIGS solar cells, with their adjustable band gap for future flexible tandem solar cells and flexibility for roll-to-roll manufacturing, have the potential to be used in a wide range of applications. However, flexible CIGS solar cells are always manufactured at relatively low temperatures, where Cu diffusion has a substantial impact on the CIGS surface state and defect formation. To address these issues, we designed a new CIGS growth profile in this work by carefully examining the effects of different locations of excess Cu in the third stage of the CIGS deposition profile.

Innovative In Situ Passivation Strategy for High-Efficiency Sb(S,Se) Solar Cells.

An effective defect passivation strategy is crucial for enhancing the performance of antimony selenosulfide (Sb(S,Se)) solar cells, as it significantly influences charge transport and extraction efficiency. Herein, a convenient and novel in situ passivation (ISP) technique is successfully introduced to enhance the performance of Sb(S,Se) solar cells, achieving a champion efficiency of 10.81%, which is among the highest recorded for Sb(S,Se) solar cells to date.

Mapping Spatial Strain Distribution and Its Effects on Optoelectronic Properties in Wrinkled Perovskite Films.

Organic-inorganic halide perovskite films, fabricated by using the antisolvent method, have garnered intense attention for their application in high-efficiency and stable solar cells. These films characteristically develop periodic wrinkled microstructures. Previous research has indicated that macroscopic residual strain significantly influences the optoelectronic behaviors of these films.

Recent Progress in Solar-Blind Photodetectors Based on Ultrawide Bandgap Semiconductors.

Ultrawide bandgap (UWBG) semiconductors, including GaO, diamond, Al Ga N/AlN, featuring bandgaps greater than 4.4 eV, hold significant promise for solar-blind ultraviolet photodetection, with applications spanning in environmental monitoring, chemical/biological analysis, industrial processes, and military technologies. Over recent decades, substantial strides in synthesizing high-quality UWBG semiconductors have facilitated the development of diverse high-performance solar-blind photodetectors (SBPDs).

FragGrow: A Web Server for Structure-Based Drug Design by Fragment Growing within Constraints.

Fragment growing is an important ligand design strategy in drug discovery. In this study, we present FragGrow, a web server that facilitates structure-based drug design by fragment growing. FragGrow offers two working modes: one for growing molecules through the direct replacement of hydrogen atoms or substructures and the other for growing via virtual synthesis.

All-Round Passivation Strategy Yield Flexible Perovskite/CuInGaSe Tandem Solar Cells with Efficiency Exceeding 26.5.

The perovskite/Cu(InGa)Se (CIGS) tandem solar cells (TSCs) presents a compelling technological combination poised for the next generation of flexible and lightweight photovoltaic (PV) tandem devices, featuring a tunable bandgap, high power conversion efficiency (PCE), lightweight flexibility, and enhanced stability and durability. Over the years, the imperative to enhance the performance of wide bandgap (WBG) perovskite solar cells (PSCs) has grown significantly, particularly in the context of a flexible tandem device. In this study, an all-round passivation strategy known as Dual Passivation at Grains and Interfaces (DPGI) is introduced for WBG PSCs in perovskite/CIGS tandem structures.

A green and environmentally benign route to synthesizing Z-scheme BiS-TCN photocatalyst for efficient hydrogen production.

Designing and developing photocatalysts with excellent performance in order to achieve efficient hydrogen production is an important strategy for addressing future energy and environmental challenges. Traditional single-phase photocatalytic materials either have a large bandgap and low visible light response or experience rapid recombination of the photogenerated carriers with low quantum efficiency, seriously hindering their photocatalytic applications. To solve these issues, an important solution is to construct well-matched heterojunctions with highly efficient charge separation capabilities.

Creation of Interfacial S-Sn-N Electron Pathways for Efficient Light-Driven Hydrogen Evolution.

Establishing effective charge transfer channels between two semiconductors is key to improving photocatalytic activity. However, controlling hetero-structures in situ and designing binding modes pose significant challenges. Herein, hydrolytic SnCl·2HO is selected as the metal source and loaded in situ onto a layered carbon nitriden supramolecular precursor.

Monolayer Borophene Formation on Cu(111) Surface Triggered by Step Edge.

Borophene, a promising material with potential applications in electronics, energy storage, and sensors, is successfully grown as a monolayer on Ag(111), Cu(111), and Au(111) surfaces using molecular beam epitaxy. The growth of two-dimensional borophene on Ag(111) and Au(111) is proposed to occur via surface adsorption and boron segregation, respectively. However, the growth mode of borophene on Cu(111) remains unclear.

Association of Attenuated Niacin Response With Inflammatory Imbalance and Prediction of Conversion to Psychosis From Clinical High-risk Stage.

Attenuated niacin responses and changes in cytokine levels have been reported in schizophrenia. However, prior studies have typically focused on schizophrenia, and little is known about the association between niacin response and inflammatory imbalance in clinically high-risk psychosis (CHR). This study aimed to assess the niacin response to inflammatory imbalance for association with conversion to psychosis within 2 years.

Nickel-Doped Graphite and Fusible Alloy Bilayer Back Electrode for Vacuum-Free Perovskite Solar Cells.

With the rapid development of perovskite solar cells (PSCs), lowering fabrication costs for PSCs has become a prominent challenge for commercialization. At present, gold is commonly used as the back metal electrode in state-of-the-art n-i-p structured PSCs due to its compatible work function, chemical inertness, and high conductivity. However, the high cost of gold and the expensive and time-consuming vacuum-based thin-film coating facilities may impede large-scale industrialization of PSCs.

Effect of transdermal drug delivery therapy on anxiety symptoms in schizophrenic patients.

Objective: To evaluate the efficacy and safety of transdermal drug delivery therapy for schizophrenia with anxiety symptoms.

Methods: A total of 80 schizophrenic patients (34 males and 56 females) with comorbid anxiety disorders were randomly assigned to the treatment group ( = 40) and the control group ( = 40) with 6 weeks of follow-up. The patients in the treatment group received the standard antipsychotic drug treatment along with transdermal drug delivery therapy.

Increased anxiety and stress-related visits to the Shanghai psychiatric emergency department during the COVID-19 pandemic in 2020 compared to 2018-2019.

Background: The coronavirus disease 2019 (COVID-19) pandemic has had a significant and far-reaching impact on mental health. The psychiatric emergency department (PED) is pivotal in the management of acute and severe mental illnesses, especially anxiety-and stress-related disorders.

Aims: This study aimed to evaluate whether changes in the frequency or patients' demographics of visiting the PED occurred during the COVID-19 pandemic among individuals with anxiety and stress-related disorders.

MolTaut: A Tool for the Rapid Generation of Favorable Tautomer in Aqueous Solution.

Fast and proper treatment of the tautomeric states for drug-like molecules is critical in computer-aided drug discovery since the major tautomer of a molecule determines its pharmacophore features and physical properties. We present MolTaut, a tool for the rapid generation of favorable states of drug-like molecules in water. MolTaut works by enumerating possible tautomeric states with tautomeric transformation rules, ranking tautomers with their relative internal energies and solvation energies calculated by AI-based models, and generating preferred ionization states according to predicted microscopic p.

Recent Advances in Surface Modifications of Elemental Two-Dimensional Materials: Structures, Properties, and Applications.

The advent of graphene opens up the research into two-dimensional (2D) materials, which are considered revolutionary materials. Due to its unique geometric structure, graphene exhibits a series of exotic physical and chemical properties. In addition, single-element-based 2D materials (Xenes) have garnered tremendous interest.

Efficient and stable all-inorganic Sb(S, Se) solar cells via manipulating energy levels in MnS hole transporting layers.

The use of organic hole transport layer (HTL) Spiro-OMeTAD in various solar cells imposes serious stability and cost problems, and thus calls for inorganic substitute materials. In this work, a novel inorganic MnS film prepared by thermal evaporation has been demonstrated to serve as a decent HTL in high-performance Sb(S, Se) solar cells, providing a cost-effective all-inorganic solution. A low-temperature air-annealing process for the evaporated MnS layer was found to result in a significant positive effect on the power conversion efficiency (PCE) of Sb(S, Se) solar cells, due to its better-matched energy band alignment after partial oxidation.

Stable Indium Tin Oxide with High Mobility.

Indium tin oxide (ITO) is widely used in a variety of optoelectronic devices, occupying a huge market share of $1.7 billion. However, traditional preparation methods such as magnetron sputtering limit the further development of ITO in terms of high preparation temperature (>350 °C) and low mobility (∼30 cm V s).

Arsenic Monolayers Formed by Zero-Dimensional Tetrahedral Clusters and One-Dimensional Armchair Nanochains.

One-dimensional (1D) arsenene nanostructures are predicted to host a variety of interesting physical properties including antiferromagnetic, semiconductor-semimetal transition and quantum spin Hall effect, which thus holds great promise for next-generation electronic and spintronic devices. Herein, we devised a surface template strategy in a combination with surface-catalyzed decomposition of molecular As cluster toward the synthesis of the superlattice of ultranarrow armchair arsenic nanochains in a large domain on Au(111). In the low annealing temperature window, zero-dimensional As nanoclusters are assembled into continuous films through intermolecular van der Waals and molecule-substrate interactions.

Hydrazine Hydrate-Induced Surface Modification of CdS Electron Transport Layer Enables 10.30%-Efficient Sb(S,Se) Planar Solar Cells.

Antimony selenosulfide (Sb(S,Se)), a simple alloyed compound containing earth-abundant constituents, with a tunable bandgap and high absorption coefficient has attracted significant attention in high-efficiency photovoltaic applications. Optimizing interfacial defects and absorber layers to a high standard is essential in improving the efficiency of Sb(S,Se) solar cells. In particular, the electron transport layer (ETL) greatly affects the final device performance of the superstrate structure.