A5100711272- Advanced Photocatalysis Techniques
- Electrocatalysts for Energy Conversion
- Lung Cancer Diagnosis and Treatment
- Catalytic Processes in Materials Science
- Luminescence and Fluorescent Materials
- Machine Learning in Materials Science
- Perovskite Materials and Applications
- Radiomics and Machine Learning in Medical Imaging
- Geological and Geochemical Analysis
- Quantum Dots Synthesis And Properties
- Medical Imaging and Pathology Studies
- Geochemistry and Geologic Mapping
- CO2 Reduction Techniques and Catalysts
- Copper-based nanomaterials and applications
- Organic Light-Emitting Diodes Research
- Advanced Vision and Imaging
- Catalysis and Oxidation Reactions
- Ammonia Synthesis and Nitrogen Reduction
- Advancements in Battery Materials
- 2D Materials and Applications
- Cardiac Arrest and Resuscitation
- Advanced battery technologies research
- Nanomaterials for catalytic reactions
- Electrochemical Analysis and Applications
- Photoreceptor and optogenetics research
University of Science and Technology of China
2016-2025
Xinjiang Medical University
2020-2025
Hefei National Center for Physical Sciences at Nanoscale
2016-2025
Pudong Medical Center
2022-2025
Fudan University
2008-2025
Changchun University of Technology
2025
Guangdong University of Foreign Studies
2024
Chongqing Three Gorges University
2024
Taiyuan University of Technology
2021-2024
Fuzhou University
2024
Unravelling the intrinsic mechanism of electrocatalytic oxygen evolution reaction (OER) by use heterogeneous catalysts is highly desirable to develop related energy conversion technologies. Albeit dynamic self-reconstruction during OER extensively observed, it still challenging operando probe reconstruction and precisely identify true catalytically active components. Here, a new class precatalyst, cobalt oxychloride (Co2 (OH)3 Cl) with unique features that allow gradual phase due etching...
Cubic phase CsPbI3 quantum dots (α-CsPbI3 QDs) as a newly emerging type of semiconducting QDs hold tremendous promise for fundamental research and optoelectronic device applications. However, stable sub-5 nm-sized α-CsPbI3 have rarely been demonstrated so far due to their highly labile ionic structure low stability. Here, we report novel strontium-substitution along with iodide passivation strategy stabilize the cubic CsPbI3, achieving facile synthesis series controllable sizes down nm. We...
The strong excitonic effects widely exist in polymer-semiconductors and the large exciton binding energy (Eb) seriously limits their photocatalysis. Herein, density functional theory (DFT) calculations are conducted to assess band alignment charge transfer feature of potential donor-acceptor (D-A) covalent organic frameworks (COFs), using 1,3,5-tris(4-aminophenyl)triazine (TAPT) or 1,3,5-tris(4-aminophenyl)benzene (TAPB) as acceptors tereph-thaldehydes functionalized diverse groups donors....
"Aggregation-caused quenching" (ACQ) and "aggregation-induced emission" (AIE) are two well-known mechanisms for polymer luminescence. Here we proposed an alternative mechanism termed intersystem crossing" (AI-ISC). By aggregating certain fluorescent dye molecules, one can improve the energy matches between excited singlet triplet states so as to promote crossing (ISC) rate, consequently prolong lifetime of electrons by steering them into states. First-principles calculations suggested that...
Harvesting solar energy for catalytic conversion of CO2 into valuable chemical fuels/feedstocks is an attractive yet challenging strategy to realize a sustainable carbon-cycle utilization. Homogeneous catalysts typically exhibit higher activity and selectivity as compared with heterogeneous counterparts, benefiting from their atomically dispersed sites versatile coordination structures. However, it still "black box" how the electronic structures dynamically evolve during reaction, forming...
Chiral chromophores and their ordered assemblies are intriguing for yielding circularly polarized luminescence (CPL) exploring intrinsic structure–light emission relationships. With the extensively studied chiral organic molecules inorganic nanoparticle amplified CPL, of copper halide hybrid clusters have attracted intensive attention due to potential efficient CPL. Here, we report robust phosphine–copper iodide layered in crystalline states We reveal that intermolecular interactions endow...
<h3>Importance</h3> In-stent restenosis (ISR) is the primary reason for stroke recurrence after intracranial stenting in patients who were treated with a standard bare-metal stent (BMS). Whether drug-eluting (DES) could reduce risk of ISR atherosclerotic stenosis (ICAS) remains unclear. <h3>Objective</h3> To investigate whether DES can and symptomatic high-grade ICAS. <h3>Design, Settings, Participants</h3> A prospective, multicenter, open-label randomized clinical trial blinded outcome...
Solid electrolytes (SEs) with superionic conductivity and interfacial stability are highly desirable for stable all-solid-state Li-metal batteries (ASSLMBs). Here, we employ neural network potential to simulate materials composed of Li, Zr/Hf, Cl using stochastic surface walking method identify two unique layered halide SEs, named Li2ZrCl6 Li2HfCl6, ASSLMBs. The predicted SEs possess high Li+ outstanding compatibility Li metal anodes. We synthesize these demonstrate their superior against...
Effectively extracting inter-frame motion and appearance information is important for video frame interpolation (VFI). Previous works either extract both types of in a mixed way or devise separate modules each type information, which lead to representation ambiguity low efficiency. In this paper, we propose new module explicitly via unified operation. Specifically, rethink the process attention reuse its map feature enhancement extraction. Furthermore, efficient VFI, our proposed could be...
Abstract Organic scintillators, pivotal in security and medical applications, face challenges due to limited X‐ray absorption exciton utilization. Herein, a novel class of organic scintillators is introduced, named guest‐induced thermally activated delayed fluorescence (TADF) within supramolecular macrocycles via host‐guest through‐space charge transfer (TSCT). Four co‐crystals are obtained through orthogonal crystallizations involving calix[3]acridan (C[3]A) calix[3]phenothiazine (C[3]P) as...
The significance of identifying the fundamental mechanism interactions between adjacent catalytic active centers has long been underestimated. Utilizing density functional theory calculations, we demonstrate controllable cooperative interaction two nearby Fe embedded on nitrogenated graphene aided by CO adsorption. interconnected atoms respond cooperatively to molecules with communicative structural self-adaption and electronic transformation. adsorbed changes not only spin site it is...
Abstract The challenge of safe hydrogen storage has limited the practical application solar-driven photocatalytic water splitting. It is hard to isolate from oxygen products during splitting avoid unwanted reverse reaction or explosion. Here we propose a multi-layer structure where carbon nitride sandwiched between two graphene sheets modified by different functional groups. First-principles simulations demonstrate that such system can harvest light and deliver photo-generated holes outer...
A monodispersed Mo atom supported by a defective borocarbonitride monolayer has been shown to be durable, efficient and selective N<sub>2</sub> reduction electrocatalyst.
Hydrogen generation via photocatalysis-driven water splitting provides a convenient approach to turn solar energy into chemical fuel. The development of photocatalysis system that can effectively harvest visible light for hydrogen is an essential task in order utilize this technology. Herein, kind cadmium free Zn-Ag-In-S (ZAIS) colloidal quantum dots (CQDs) shows remarkably photocatalytic efficiency the region developed. More importantly, nanocomposite based on combination 0D ZAIS CQDs and...
Hydrogen doping of metal oxide semiconductors is promising for manipulation their properties toward various applications. Yet it quite challenging because requires harsh reaction conditions and expensive catalysts. Meanwhile, acids as a cheap source protons have long been unappreciated. Here, we develop sophisticated acid–metal treatment tunable hydrogenation oxides at ambient conditions. Using first-principles simulations, first show that, with proper work function difference between the...
Abstract Fabricating a robust interfacial layer on the lithium metal anode to isolate it from liquid electrolyte is vital restrain rapid degradation of battery. Here, we report that solution-processed chloride perovskite thin film can be coated onto surface as shield electrolyte. Via phase analysis and density functional theory calculations, demonstrate allow fast ion shuttle under low energy barrier 0.45 eV without collapse framework. Such modification realize stable cycling LiCoO 2 |Li...
Nitric oxide-releasing amphiphiles are successfully synthesized through direct polymerization and engineered as photoresponsive polymersomes for biomedical applications.
Abstract Although solar-driven water splitting on semiconductor photocatalysts is an attractive route for hydrogen generation, there a lack of excellent with high visible light activity. Due to their tunable bandgaps suitable superior visible-light absorption, copper-based quaternary sulfides have been the important candidates. Here, we first assessed preferred facet wurtzite Cu-Zn-In-S photocatalytic evolution reaction using relevant Gibbs free energies determined by principle calculation....
Infrared (IR) absorption provides important chemical fingerprints of biomolecules. Protein secondary structure determination from IR spectra is tedious since its theoretical interpretation requires repeated expensive quantum-mechanical calculations in a fluctuating environment. Herein we present novel machine learning protocol that uses few key structural descriptors to rapidly predict amide I various proteins and agrees well with experiment. Its transferability enabled us distinguish...
Surface-enhanced Raman spectroscopy (SERS) is a powerful technique that can capture the electronic-vibrational "fingerprint" of molecules on surfaces. Ab initio prediction response long-standing challenge because diversified interfacial structures. Here we show cost-effective machine learning (ML) random forest method predict SERS signals trans-1,2-bis (4-pyridyl) ethylene (BPE) molecule adsorbed gold substrate. Using geometric descriptors extracted from quantum chemistry simulations...
Exploring the impact of active site density on catalytic reactions is crucial for reaching a more comprehensive understanding how single-atom catalysts work. Utilizing functional theory calculations, we have systematically investigated neighboring effects between two adjacent Fe-N-C sites monodispersed oxygen reduction reaction (ORR). While thermodynamic limiting potential (UL) strongly dependent intersite distance and nature in FeN3, it almost invariable FeN4 until are ∼4 Å apart. Further,...
Abstract Fine‐tuning electronic structures of single‐atom catalysts (SACs) plays a crucial role in harnessing their catalytic activities, yet challenges remain at molecular scale controlled fashion. By tailoring the structure graphdiyne (GDY) with electron‐withdrawing/‐donating groups, we show herein perturbation Cu CO 2 reduction way. The elaborately introduced functional groups (−F, −H and −OMe) can regulate valance state δ+ , which is found to be directly scaled selectivity...
Learning microscopic properties of a material from its macroscopic measurables is grand and challenging goal in physical science. Conventional wisdom to first identify structures exploiting characterization tools, such as spectroscopy, then infer interest, often with assistance theory simulations. This indirect approach has limitations due the accumulation errors retrieving spectral signals lack quantitative structure–property relationship. A new pathway directly highly desirable, it would...
Thermochromic phosphors are intriguing materials for realizing thermochromic behaviors of light-emitting diodes. Here a highly luminescent and stable phosphor based on one-dimensional Cu4 I6 (4-dimethylamino-1-ethylpyridinium)2 is reported. This unique ionic copper-iodine chain-based hybrid exhibits near-unity photoluminescence efficiency owing to the through-space charge-transfer character relevant electronic transitions. More importantly, an alternative mechanism phosphorescence was...