Feng-Yang Bai Research Home

Intro block Research Interests: Theoretical Environmental Chemistry, Theoretical Computational Chemistry First-principles Catalysis Surface Interface, Environmental Catalytic Chemistry

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Introduction to the laboratory

Born in October 1990, PhD in Physical Chemistry ("First-class universities and disciplines of the world "), Northeast Normal University, lecturer, member of the Chinese Chemical Society. Mainly engaged in environmental pollution chemistry and physical organic chemistry research, especially in the formation and transformation mechanism and dynamics of pollutants in the environment to carry out a series of valuable research work. Served as the reviewer of SCI academic journals such as Physical Chemistry Chemical Physics, Atmospheric Environment, Journal of Physical Chemistry A, Scientific Reports, RSC Advances, Journal of Molecular Graphics and Modelling, International Journal of Quantum Chemistry, etc. In the past five years, 29 SCI papers have been published. Among them, 16 papers have been published in high-level SCI journals such as Journal of Hazardous Materials, Science of the Total Environment, Atmospheric Environment, Chemosphere, Physical Chemistry Chemical Physics, Journal of Physical Chemistry, Chemphyschem, etc. as the first/corresponding author. The journals Chemical Society Reviews, Angewandte Chemie International Edition and other articles are positively cited, and the research level is highly recognized by domestic and foreign counterparts.

Study on the Multiphase Formation and Transformation Mechanism of Atmospheric Fine Particles

Mainly engaged in small molecule-radical gas phase reactions related to atmospheric chemistry and environmental chemistry. Through quantum chemistry calculations theory and combined with reaction kinetics theory, the detailed reaction process of the reaction system is obtained, and the microscopic mechanism and kinetic properties of the reaction are clarified. Theoretical calculation and simulation of homogeneous surface catalytic reactions and the design of catalytic materials. Through the calculation of quantum chemistry theory and combined with the reaction kinetic theory, the detailed reaction process of the reaction system is obtained, and the microscopic mechanism and kinetic properties of the reaction are clarified.

新型污染物的催化消除反应动力学及环境影响研究

采用量子化学理论和第一性原理方法,开展大气和水环境中新型含卤/氧挥发有机污染物及抗生素类物质的消除机理及反应动力学研究,评估系列消除产物在环境中的二次转化和归趋行为及其寿命,同时模拟先进氧化过程(AOPs)中过氧化氢产生羟基自由基在水环境中的消除污染物的机制及环境健康效应。

 

Research Direction

Environmental Theoretical Chemistry and Applied Quantum Chemistry

1. Study on catalytic elimination mechanism and reaction kinetics of new pollutants

2. Homogeneous and heterogeneous formation mechanism of fine particles in the atmosphere

3. Environmental transformation and risk assessment of halogenated organics

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