A5101545914- Machine Learning in Materials Science
- Advanced Photocatalysis Techniques
- Perovskite Materials and Applications
- Quantum Dots Synthesis And Properties
- TiO2 Photocatalysis and Solar Cells
- Conducting polymers and applications
- Computational Drug Discovery Methods
- Luminescence and Fluorescent Materials
- Organic Electronics and Photovoltaics
- Energetic Materials and Combustion
- Organic Light-Emitting Diodes Research
- Recycling and utilization of industrial and municipal waste in materials production
- Electrocatalysts for Energy Conversion
- Photochemistry and Electron Transfer Studies
- Catalytic C–H Functionalization Methods
- Gas Sensing Nanomaterials and Sensors
- Concrete and Cement Materials Research
- Chalcogenide Semiconductor Thin Films
- Lignin and Wood Chemistry
- High Entropy Alloys Studies
- Rocket and propulsion systems research
- Thermography and Photoacoustic Techniques
- Machine Learning in Bioinformatics
- Fluorine in Organic Chemistry
- Advanced X-ray and CT Imaging
Hunan University
2023-2025
Shanghai University
2016-2025
China Jiliang University
2021-2025
Beijing Normal University
2019-2024
Zhongshan Hospital of Xiamen University
2024
State Key Laboratory of Clean Energy Utilization
2021-2024
Zhejiang University
2021-2024
North University of China
2022-2024
China Agricultural University
2024
Ministry of Agriculture and Rural Affairs
2024
Abstract The development of materials is one the driving forces to accelerate modern scientific progress and technological innovation. Machine learning (ML) technology rapidly developed in many fields opening blueprints for discovery rational design materials. In this review, we retrospected latest applications ML assisting perovskites discovery. First, tendency perovskite publications recent years was organized analyzed. Second, workflow introduced. Then various properties inorganic...
Abstract This review discussed the dilemma of small data faced by materials machine learning. First, we analyzed limitations brought data. Then, workflow learning has been introduced. Next, methods dealing with were introduced, including extraction from publications, database construction, high-throughput computations and experiments source level; modeling algorithms for imbalanced algorithm active transfer strategy level. Finally, future directions in science proposed.
Abstract Under the guidance of material genome initiative (MGI), use data‐driven methods to discover new materials has become an innovation science. The polymer have been one most important parts in science for excellent physical and chemical properties as well corresponding complex structures. Machine learning, core methods, taken place design discovery. In this review, authors introduced applications machine learning discovery materials. development tendency published papers about...
Dye-sensitized solar cells (DSSCs) are the most promising low-cost photovoltaic devices. Whereas, absorption bands of organic sensitizers, vital component in DSSCs, limited to a relatively narrow visible range. To obtain efficient sensitizer, series D–A−π–A metal-free dyes have been designed based on one best sensitizers WS-9 by modifying auxiliary acceptor and characterized theoretically. The results illustrate that introduction heterocycle is revealed very band gap (HOMO–LUMO), leading an...
A mild, versatile and efficient method for the silver(I)-catalyzed oxidative decarboxylative gem-difluoromethylenation has been developed. The radical cascade reaction comprises addition of an oxidatively generated difluoromethylene to isonitrile functionality subsequent homolytic aromatic substitution. It provides a novel access C-CF2 bond formation.
We presented an effective and universal strategy for the improvement of luminophore's solid-state emission, i.e., macrocyclization-induced emission enhancement (MIEE), by linking luminophores through C(sp3) bridges to give a macrocycle. Benzothiadiazole-based macrocycle (BT-LC) has been synthesized one-step condensation monomer 4,7-bis(2,4-dimethoxyphenyl)-2,1,3-benzothiadiazole (BT-M) with paraformaldehyde, catalyzed Lewis acid. In comparison monomer, BT-LC produces much more intense...
Promoting high-quality development of logistics industry (LHQD) becomes imperative to decrease costs in real economy and intensify endogenous power economic development. In this paper, we construct an evaluation system consisting 21 indicators four dimensions: output scale, operation quality, social contribution green Thereafter, apply improved entropy weight method, kernel density estimation Dagum Gini coefficient carve out spatial temporal distribution, dynamic evolution regional...
Diketopyrrolopyrrole-based fluorescent probes have been developed for the detection of low pH and Zn<sup>2+</sup> in an AND logic fashion. They can discriminate between cancerous healthy prostate tissue.
Predicting the formability of perovskite structure for hybrid organic–inorganic perovskites (HOIPs) is a prominent challenge in search required materials from huge space. Here, we propose an interpretable strategy combining machine learning with shapley additive explanations (SHAP) approach to accelerate discovery potential HOIPs. According prediction best classification model, top-198 nontoxic candidates probability (Pf) >0.99 are screened 18560 virtual samples. The SHAP analysis reveals...
Abstract The defects in perovskite film can cause charge carrier trapping which shortens lifetime and diffusion length. So passivation has become promising for the studies. However, how disturb transport passivating affects CsPbBr 3 are still unclear. Here dynamics processes of LiBr passivated films investigated by using transient absorption spectroscopy microscopy. It's found that there is a fast hot process with above bandgap excitation, would decrease population cold carriers diffusible,...
Inflammation has been shown to trigger a wide range of chronic diseases, particularly inflammatory diseases. As result, the focus research on anti-inflammatory drugs and foods. In recent years, field medicinal edible homology (MEH) developed rapidly in both medical food sciences, with 95% MEH being associated plants. Phenolic acids are crucial group natural bioactive substances found homologous plants (MEHPs). Their activity is significant as they play vital role treating several These...
The electronic structures and absorption spectra for a series of acene-based organic dyes the adsorption energy optical properties these adsorbed on (TiO2)38 have been investigated using density functional theory (DFT) time-dependent (TDDFT) methods. effects acene units different substitution positions electron donors optoelectronic acene-modified are demonstrated. photophysical tetracene- pentacene-based found to be tuned by changing size position donor. donor sites significant influence...
A copper-mediated multi-component reaction was developed through isocyanide insertion into N-H bonds of less active secondary arylamines. This approach leads to an efficient synthesis unsymmetrical tetrasubstituted ureas in one pot.