Water on Transitional Metal Oxide - Prof. Cai Weimin, School of Environmental Science and Engineering
Project:  Water on Transitional Metal Oxide
Abstract:  Transitional metal oxides (TMO) have a wide variety of relaxed surface structures which affect their surface energy and influence chemical properties of these compounds. Because of their special surface properties, TMO are commonly utilized for their catalytic activity. Absorbed water on certain surfaces of TMO can dissociate and form hydroxyl groups, which have a significant effect on the relative acidity and basicity of the atoms present on the surface. Although the bulk properties of TMO are well researched, there is little known about the interaction of water vapor with their surfaces. In this project, we will carry out first-principle investigation on the reaction behavior of absorbed water on TMO. Our first purpose is to characterize the adsorption processes and the adsorption structures of water molecular. The interaction of molecular or dissociated water with co-absorbed oxygen and some small molecular pollutants will be studied afterwards. We hope this research could shed light on the utilization of hydroxylated TMO surfaces.
Research team: 
  1. Lead PI: Prof. Cai Weimin
    Prof. Cai is from School of Environmental Science and Engineering at SJTU. His research group is focus on environmental function materials, pollutant control technology, environmental microbiology engineering and environmental ecology engineering. He has published 100+ papers in renowned international journals. His work on photo-catalyst was awarded one of the 20 most cited articles in environmental science and material science.
  2. Members: Dr. Wang Zhiping
    Dr. Wang is currently at School of Environmental Science and Engineering. He received Doctor Degree at Harbin Institute of Technology in 2006 on treatment of wastewater with aerobic granules, aiming to the high strength, hard degradable organic wastewater and the nutrients removal.
  3. Students: Wu Haodong
    Wu Haodong is a postgraduate at the School of Environmental Science and Engineering, SJTU. He is currently student of Dr. Wang. In this project, he will conduct the experiment using ab init calculations.

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