A5015726825- Molecular Sensors and Ion Detection
- Conducting polymers and applications
- Organic Electronics and Photovoltaics
- Perovskite Materials and Applications
- Sulfur Compounds in Biology
- Advanced Chemical Physics Studies
- Electrochemical sensors and biosensors
- Advanced Photocatalysis Techniques
- Luminescence and Fluorescent Materials
- Electrochemical Analysis and Applications
- Advanced biosensing and bioanalysis techniques
- Metal-Organic Frameworks: Synthesis and Applications
- Energetic Materials and Combustion
- Carbon and Quantum Dots Applications
- Covalent Organic Framework Applications
- Sulfur-Based Synthesis Techniques
- Semiconductor materials and interfaces
- Chemical Synthesis and Reactions
- Thermal and Kinetic Analysis
- Catalysis and Hydrodesulfurization Studies
- Spectroscopy and Quantum Chemical Studies
- Analytical Chemistry and Chromatography
- Analytical Chemistry and Sensors
- Machine Learning in Materials Science
- Surface and Thin Film Phenomena
Nanjing University of Science and Technology
2015-2024
Shandong University of Science and Technology
2024
Islamia University of Bahawalpur
2022
State Council of the People's Republic of China
2016-2021
University of Toledo
2018
University of Calgary
2012-2013
China University of Mining and Technology
2012
University of Missouri–St. Louis
2008-2009
University of British Columbia
2006-2008
Anhui University of Science and Technology
2008
A highly stretchable (extensibility > 4000% and stress 130 kPa), adhesive (weight loading 200 g), non-flammable notch-insensitive intrinsic self-healing solid-state polymer electrolyte is designed for stable safe flexible batteries.
A green and gram-scale strategy has been developed for the synthesis of Fe single atom/N,S-doped carbon catalyst via pyrolysis polyaniline-modified Fe,S-doped ZIFs, in which ZIFs can be prepared water at room temperature.
Non-fullerene acceptors, especially acceptor-donor-acceptor structured fused-ring electron acceptors (FREAs), have attracted widespread attention in organic solar cells because of their versatile molecular design fine-tuning light absorption and energy levels. We report the accuracy Time-Dependent Density Functional Theory (TD-DFT) for FREAs by comparing theoretically predicted vertical wavelength (λver-abso) with experimental maximum (λmax). The λver-abso values 50 molecules obtained from...
Strong interaction force improves the mechanical properties of energetic composites, and plentiful dynamic H-bonds endue excellent crack-healing performance.
The essential challenge in orbital-free density functional theory (OF-DFT) is to construct accurate kinetic energy functionals (KEDFs) with general applicability (i.e., transferability). During the last decade, several linear-response (LR)-based KEDFs have been proposed. Among them, Wang-Govind-Carter (WGC) KEDF, containing a density-dependent response kernel, one of most that still affords linear scaling algorithm. For nearly-free-electron-like metals such as Al and its alloys, OF-DFT...
A mild and efficient method for the radical addition of α-aryl-β,β-difluoroenol silyl with arene diazonium tetrafluoroborates at room temperature has been disclosed.
An efficient sulfonylation of activated alkenes with sodium arylsulfinates in water at room temperature is introduced. Water proves to enhance more obviously the transformation compared other solvents. The quantum chemical calculations suggest that protonation key step reaction, which could be accelerated by polarity effects water. Moreover, can polarize and stabilize charged intermediates based on results calculations.
Investigating the thermal decomposition and detonation mechanisms of DNAN by combining TG-FTIR-MS with DFT ReaxFF MD.
Introduction: The swift advancement of technology has made digital transformation essential for firms to sustain competitiveness and ensure long-term survival, particularly SMEs that are integral many economies. Although identifying components in a particular area interest is valuable, bibliometric analyses the domain limited. Objectives: objective this study identify research trends, highly cited publications, key authors, major thematic areas field SMEs' through comprehensive analysis....
The lack of accurate transferable local pseudopotentials represents one the remaining barriers to general application orbital-free density functional theory (OF-DFT, a linear scaling technique). Here we report method generate high quality ab initio (LPS's) for use in condensed matter DFT calculations. We exploit first Hohenberg-Kohn theorem, which states that external potential is one-to-one mapped ground-state electron density. By employing scheme inverting Kohn-Sham (KS) equations due Wang...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTStudies on the enantioselectivity in Bu4N[Fe(CO)3NO]-catalyzed nucleophilic substitution of optically active allylic carbonates with malonateB. Zhou and Yuanyao XuCite this: J. Org. Chem. 1988, 53, 18, 4419–4421Publication Date (Print):September 1, 1988Publication History Published online1 May 2002Published inissue 1 September 1988https://pubs.acs.org/doi/10.1021/jo00253a049https://doi.org/10.1021/jo00253a049research-articleACS PublicationsRequest...
The activity detection of acid phosphatase (ACP) and alkaline (ALP) is great importance to the diagnosis prognosis related diseases. In this work, we report for first time a turn-on colorimetric platform ACP ALP, by exploiting Cu(BCDS)22- (BCDS=bathocuproinedisulfonate) as probe. presence or ALP dephosphorylates substrate ascorbic 2-phosphate produce acid, which then reduces into Cu(BCDS)23- , leading spectral absorption at 484 nm dramatic color change solution from colorless orange-red....