Shuo Chai

ORCID: 0000-0003-1867-1198
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About
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Research Areas
  • Laser-Matter Interactions and Applications
  • Photochemistry and Electron Transfer Studies
  • Organic Electronics and Photovoltaics
  • Spectroscopy and Quantum Chemical Studies
  • Conducting polymers and applications
  • Terahertz technology and applications
  • Free Radicals and Antioxidants
  • Porphyrin and Phthalocyanine Chemistry
  • Radical Photochemical Reactions
  • Advanced Chemical Physics Studies
  • Organic Light-Emitting Diodes Research
  • Mass Spectrometry Techniques and Applications
  • Photochromic and Fluorescence Chemistry
  • Organic and Molecular Conductors Research
  • Crystallization and Solubility Studies
  • Spectroscopy Techniques in Biomedical and Chemical Research
  • Chemical Reactions and Mechanisms
  • Molecular Junctions and Nanostructures
  • X-ray Diffraction in Crystallography
  • Advanced Fiber Laser Technologies
  • Tea Polyphenols and Effects
  • Laser-Plasma Interactions and Diagnostics
  • Advanced optical system design
  • Blood properties and coagulation
  • Robotics and Sensor-Based Localization

Dalian University of Technology
2014-2024

Dalian University
2013-2023

Chinese Academy of Sciences
2008-2023

Shanghai Institute of Applied Physics
2023

University of Chinese Academy of Sciences
2023

Qiqihar Medical University
2021-2022

Dalian Institute of Chemical Physics
2008-2018

Hunan Agricultural University
2018

University of Central Florida
2018

Beijing Institute of Technology
2017

In the present work, excited-state double proton transfer (ESDPT) in 2-aminopyridine (2AP)/acid systems has been reconsidered using combined experimental and theoretical methods. The steady-state absorption fluorescence spectra of 2AP different acids, such as formic acid, acetic propionic etc. have measured. We demonstrated for first time that ESDPT reaction can take place between all these acids due to formation intermolecular hydrogen bonds. Furthermore, vitally important role bonds also...

10.1039/b816589k article EN Physical Chemistry Chemical Physics 2009-01-01

Attaching electron-withdrawing substituent to organic conjugated molecules is considered as an effective method produce n-type and ambipolar transport materials. In this work, we use density functional theory calculations investigate the electron hole properties of pentacene (PENT) derivatives after simulate angular resolution anisotropic mobility for both transport. Our results show that adding substituents can lower energy level lowest unoccupied molecular orbital (LUMO) increase affinity,...

10.1002/jcc.21904 article EN Journal of Computational Chemistry 2011-08-11

Primary dark tea is used as raw material for compressed tea, such Fu brick Hei Hua and Qianliang tea. Pile-fermentation the key process formation of characteristic properties primary during which microorganism plays an important role. In this study, changes major chemical compounds, enzyme activities, microbial diversity, their correlations were explored pile-fermentation process. Our enzymatic analysis showed that contents compounds decreased, while activities polyphenol oxidase, cellulase,...

10.3389/fmicb.2018.01509 article EN cc-by Frontiers in Microbiology 2018-07-10

As one of the most important physical properties organic material, anisotropic charge-carrier mobility directly determines device performance to a large extent.In this protocol, we mainly describe efforts in our group over last few years establish quantitative relationship between angular resolution mobilities and crystal packing architecture parameters \(r, θ, γ).Based on rst-principles quantum mechanics \(QM) calculations Marcus-Hush theory an effective onedimensional diffusion equations...

10.1038/protex.2013.070 article EN cc-by-nc Protocol Exchange 2013-08-22

10.1007/s00170-015-7787-6 article EN The International Journal of Advanced Manufacturing Technology 2015-09-09

Herein, we systematically studied the electronic and conducting properties of thiophene-fused polycyclic aromatic compounds their analogues discussed in detail influences edge-core structure, heteroatom substitution, functionalization on field-effect transistor solid-state packing motifs. It was found that influence structure substitution reorganization energies semiconducting materials mainly originates from variations frontier molecular orbital charge distributions steric hindrance as well...

10.1021/jp5086922 article EN The Journal of Physical Chemistry C 2014-12-05

10.1016/j.jphotochem.2014.06.015 article EN Journal of Photochemistry and Photobiology A Chemistry 2014-07-02

The dissociation of the molecular ion ${\mathrm{HD}}^{+}$ in moderate-intensity laser pulses is studied using time-dependent quantum wave-packet method. Simulations time-of-flight (TOF) neutral atom spectra produced from $v=10$ vibrational state at a intensity ${10}^{12}\phantom{\rule{0.16em}{0ex}}\mathrm{W}/{\mathrm{cm}}^{2}$ and $v=0$ $5\ifmmode\times\else\texttimes\fi{}{10}^{12}\phantom{\rule{0.16em}{0ex}}\mathrm{W}/{\mathrm{cm}}^{2}$ are calculated. Good agreement found with previous...

10.1103/physreva.96.013426 article EN Physical review. A/Physical review, A 2017-07-26

Based on first-principles calculations, the relationship between molecular packing and charge-transport parameters has been investigated analysed in detail. It is found that crystal forces flexible organic molecule 4-(1,2,2-triphenylvinyl)aniline salicylaldehyde hydrazone ( A ) can apparently overcome dynamic intramolecular rotations steric repulsion, effectively enhancing rigidity decreasing internal reorganization energy. The conducting properties of have also simulated within framework...

10.1107/s2052252517010685 article EN cc-by IUCrJ 2017-09-01

10.1016/j.nima.2023.168319 article EN Nuclear Instruments and Methods in Physics Research Section A Accelerators Spectrometers Detectors and Associated Equipment 2023-05-05

Abstract In this study, we prepared and evaluated folic acid-conjugated albumin-paclitaxel (FA-BSA-PTX) nanoparticles using a new green technique, called the high-pressure homogenisation coagulation method (HPHCM). The effect of process parameters such as BSA concentration, coagulant time, pressure, water/ethanol ratio, BSA/PTX ratio was analysed to optimise nanoparticle size, albumin conversion rate, encapsulation efficiency. concentration found exert great influence on rate particle size....

10.21203/rs.3.rs-221888/v1 preprint EN cc-by Research Square (Research Square) 2021-03-09

Abstract The formation of NaH molecules in the lowest rovibrational level ground electronic state is investigated using a pump-dump photoassociation (PA) scheme. In short-range region, two colliding atoms Na and H are efficiently associated into molecule |0,0〉 via intermediately |10,1〉 excited state. changes populations with electric field amplitudes, frequency detunings, dump pulse duration delay time between laser pulses calculated discussed. PA probability reaches 0.623 high state-selectivity.

10.4208/cicp.011113.030614a article EN Communications in Computational Physics 2014-11-28
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