A5007057744- Atmospheric chemistry and aerosols
- Atmospheric Ozone and Climate
- Advanced Chemical Physics Studies
- Advanced Photocatalysis Techniques
- Organic Electronics and Photovoltaics
- Catalytic Processes in Materials Science
- Conducting polymers and applications
- Free Radicals and Antioxidants
- Spectroscopy and Laser Applications
- Quantum Dots Synthesis And Properties
- Molecular Junctions and Nanostructures
- Air Quality and Health Impacts
- Crystallography and molecular interactions
- Organic Light-Emitting Diodes Research
- Luminescence and Fluorescent Materials
- Photochemistry and Electron Transfer Studies
- Gas Sensing Nanomaterials and Sensors
- Molecular Spectroscopy and Structure
- Metal-Organic Frameworks: Synthesis and Applications
- Inorganic Fluorides and Related Compounds
- Electrocatalysts for Energy Conversion
- Chemical Thermodynamics and Molecular Structure
- Chemical Reaction Mechanisms
- Energetic Materials and Combustion
- Photonic Crystal and Fiber Optics
Xuzhou College of Industrial Technology
2025
Shaanxi University of Science and Technology
2019-2024
South China University of Technology
2014-2024
University of Hong Kong
2023-2024
Yangtze University
2023-2024
Beijing University of Civil Engineering and Architecture
2021-2023
China Three Gorges Corporation (China)
2023
Shaanxi Normal University
2013-2022
Wuxi No.2 People's Hospital
2022
Jiangnan University
2018-2022
Abstract The benzylic positions in drugs are sites that readily react with cytochrome P450 oxidases via single-electron oxidation. New synthetic methodologies to incorporate a fluoroalkyl group at the site continually being developed, and this paper, we report metal-free site-selective organophotoredox-catalyzed trifluoromethylthiolation of C-H bonds for wide variety alkyl arenes heteroarenes. precise predictive regioselectivity among various C(sp 3 )-H originates from an inner-sphere...
Abstract:
We are family: Triazacoronene derivatives have been synthesized in four steps from veratrole by using a threefold Pictet–Spengler reaction as the key step (see picture). They good photophysical and electronical properties, thermal stability, solubility, thus rendering them promising candidates electron-transport materials.
We report a facile one-pot synthetic route for FeP<sub>2</sub>/C nanohybrids, and their performance as electrocatalysts the hydrogen evolution reaction (HER) in an acidic medium has been investigated.
Herein, the attachment energy (AE) model was employed to study growth morphology of 3,4-bis(3-nitrofurazan-4-yl)furoxan (DNTF) under vacuum and solvent conditions by molecular dynamics simulation. The DNTF crystals were cultivated in H2O/acetic acid (AcOH) H2O/EtOH solvents natural cooling. calculated results show that (0 1 1) 0 faces have large morphological importance these two systems, predicted morphologies agree qualitatively with those observed experimental results. Radial distribution...
To study the effect of lateral substituents on UV stability high birefringence liquid crystals (LCs), computational chemistry was used to examine a series LCs based diphenyl-diacetylene (DPDA) central core, thiophene segments as elongated π-conjugated units and four electron-withdrawing groups (-F, -CF3, -OCF3, -CN) substituents. In present study, geometry optimisations have been performed using DFT/B3LYP/6-311G (d, p) method. Out functional basis sets examined, ωB97X-D set 6-31G are most...
A terthiophene (3T) derivative of 5-(1-pyrenyl)-2,2′:5′,2′′-terthiophene (Py-3T) was synthesized and chemically immobilized onto a glass wafer surface via flexible spacer by employing single-layer chemistry technique. Unlike the film fabricated in same way but with 3T as fluorophore, present study possesses unprecedented photochemical stability at ambient conditions. Fluorescence studies revealed that emission is significantly selectively quenched presence nitroaromatic compounds (NACs),...
The determination of active sites materials is essential for the molecular design high-performance catalysts. In this study, first-principles method applied to investigate low-cost Ni metal-based electrocatalysts hydrogen evolution reactions (HER), which a promising alternative expensive Pt adsorption on different pristine and partially oxidized Ni(111) surface investigated. All possible configurations have been systematically investigated here with consideration their Boltzmann...
NO electrochemical reduction (NOER) is a promising route for the removal of pollutant and production ammonia. In this work, by means first-principles computations, we designed series single atom catalysts consisting atomic transition metals anchored onto defective hexagonal boron nitride (h-BN) with vacancies (TM@h-BN). Among all nine candidates, our results revealed that Cu@h-BN Ni@h-BN showed excellent NOER performances relatively low limiting potentials 0.23 0.31 V, respectively, which...
Fe<sub>2</sub>O<sub>3</sub>/Bi<sub>2</sub>MoO<sub>6</sub> heterojunctions exhibit an observably improved photo-Fenton catalytic tetracycline degradation activity, which is accredited to 2D/2D S-scheme charge transfer mechanism.
Abstract van der Waals (vdW) heterostructures constructed by low-dimensional (0D, 1D, and 2D) materials are emerging as one of the most appealing systems in next-generation flexible photodetection. Currently, hand-stacked vdW-type photodetectors not compatible with large-area-array fabrication show unimpressive performance self-powered mode. Herein, vertical 1D GaN nanorods arrays (NRAs)/2D MoS 2 /PEDOT:PSS wafer scale have been proposed for firstly. The as-integrated device without external...
To improve the photochemical stability of α-terthiophene (3T) in air, we purposely introduced a naphthalene unit into its conjugated backbone, resulting fluorescent compound, 5-(1-naphthyl)-2,2':5',2''-terthiophene (NA-3T). The compound was further employed as sensing element for fabrication monolayer-chemistry based film. It demonstrated that fabricated film is highly sensitive and selective to presence picric acid (PA). detection limit found be 3.2 × 10(-7) mol/L. high sensitivity PA has...
We report a QM (including TD-DFT and CASSCF) ONIOM (QM:MM) study on the fluorescence quenching in methanol solution enhancement crystal for styrene derivative, namely 4-diethylamino-2 benzylidene malonic acid dimethyl ester (BIM) that possesses push–pull structure AIE properties. The results showed weakening of ethylenic C═C bond after photoexcitation initiates barrierless relaxation via one-bond rotation around it, until reactive molecule reaches low-energy intermediate with strong...
Single crystalline copper selenide (Cu2−xSe) nanocrystals (NCs) with well-defined octahedral morphology are successfully synthesized by a colloidal hot-solution injection method from the reaction of anhydrous CuCl Ph2Se2 under argon flow, in which 1-octadecene (ODE) and oleylamine (OAm) used as solvent surfactant, respectively. The Cu2−xSe nanostructures characterized XRD, SEM, TEM, HRTEM, SAED, EDS, FT-IR XPS it is found that they cubic phase high quality. growth process investigated noted...
Abstract. Although secondary organic aerosol (SOA) is a major component of PM2.5 and (OA) particles therefore profoundly influences air quality, climate forcing, human health, the mechanism SOA formation via Criegee chemistry poorly understood. Herein, we perform high-level theoretical calculations to study gas-phase reaction kinetics four intermediate (CI) reactions with hydroxyalkyl hydroperoxides (HHPs) for first time. The calculated results show that consecutive CIs HHPs are both...