上海科技大学人力资源管理
ShanghaiTech University Human Resources
Bo Yang    Assistant Professor、PI
Institute School of Physical Science and Technology
Research Area Surface Catalytic Reaction Modeling and Materials design
Contact Info. yangbo1@@shanghaitech.edu.cn
 
  Biography  
Bo Yang received his BEng in Applied Chemistry from East China University of Science and Technology in 2010, PhD in Physical Chemistry from The Queen’s University of Belfast in 2013 under the supervision of Professor Christopher Hardacre and Professor Peijun Hu. From 2013 to 2015, he was a postdoctoral research fellow at SUNCAT Center for Interface Science and Catalysis, a joint research center between SLAC National Accelerator Laboratory and the Department of Chemical Engineering at Stanford University, under the supervision of Professor Jens K. Nørskov and Dr Thomas Bligaard. He was the recipient of several major awards, including the Dorothy Hodgkin Postgraduate Awards jointly awarded by EPSRC and Johnson Matthey, EFCATS PhD Student Award and Royal Irish Academy Young Chemist’s Prize. He joined the School of Physical Science and Technology at ShanghaiTech University as a tenure-track assistant professor、PI in May 2015.
  Research Interests  
My research interest lies in the broad area of heterogeneous catalysis, surface chemistry, computational chemistry and catalyst materials design utilizing a number of theoretical and experimental approaches, focusing on the catalytic problems in renewable energy utilization and environment protection. The methodology is to use density functional theory (DFT) calculations to analyze the thermodynamics and kinetics of surface reactions on catalyst surfaces. Automated analyses and dynamic simulation of surface reactions are carried out in my group, along with the reliability analyses of the DFT calculation results. The ultimate goals are to screen and design ideal catalyst materials with ideal catalytic active sites and to guide the whole catalyst development process from preparation, characterization to testing.
  Selected Publications  

P. Wu and B. Yang,* Significance of Surface Formate Coverage on the Reaction Kinetics of Methanol Synthesis from CO2 Hydrogenation over Cu, ACS Catal., 2017, 7, 7187-7195

K. Wang and B. Yang,* Theoretical Understandings on the Selectivity of Acrolein Hydrogenation over Silver Surfaces: Non-Horiuti-Polanyi Mechanism is the Key, Catal. Sci. Technol., 2017, 7, 4024-4033

K. Yang and B. Yang,* Surface Restructuring of Cu-based Single-atom Alloy Catalysts under Reaction Conditions: The Essential Role of Adsorbates, Phys. Chem. Chem. Phys., 2017, DOI: 10.1039/C7CP02152F

B. Yang,* R. Burch, C. Hardacre,* P. Hu,* P. Hughes, Selective Hydrogenation of Acetylene over Cu(211), Ag(211) and Au(211): Horiuti-Polanyi Mechanism vs. Non-Horiuti-Polanyi Mechanism, Catal. Sci. Technol., 2017, 7, 1508-1514

P.P. Wu and B. Yang,* Theoretical Insights into the Promotion Effect of Subsurface Boron for the Selective Hydrogenation of CO to Methanol over Pd Catalysts, Phys. Chem. Chem. Phys., 2016, 18, 21720-21729

Y. Gu, Y.H. Zhao,* P.P. Wu, B. Yang,* N.T. Yang, Y. Zhu,* Bimetallic PtxCoy Nanoparticles with Curved Faces for Highly Efficient Hydrogenation of Cinnamaldehyde, Nanoscale, 2016, 8, 10896-10901

B. Yang, R. Burch, C. Hardacre, G. Headdock, and P. Hu,
Understanding the Optimal Adsorption Energies for Catalyst Screening in Heterogeneous Catalysis, ACS Catal., 2014, 4, 182-186

 

B. Yang, R. Burch, C. Hardacre, P. Hu and P. Hughes, Mechanistic Study of 1, 3-Butadiene Formation in Acetylene Hydrogenation over the Pd-Based Catalysts Using Density Functional Calculations, J. Phys. Chem. C, 2014, 118, 1560-1567

 

B. Yang, R. Burch, C. Hardacre, P. Hu and P. Hughes, Selective Hydrogenation of Acetylene over Pd-Boron Catalysts: A Density Functional Study, J. Phys. Chem. C, 2014, 118, 3664-3671

 

B. Yang, X.-Q. Gong, H.-F. Wang, X.-M. Cao, J. Rooney and P. Hu, Evidence to Challenge the Universality of the Horiuti-Polanyi Mechanism for Hydrogenation in Heterogeneous Catalysis: Origin and Trend of the Preference of a Non-Horiuti-Polanyi Mechanism, J. Am. Chem. Soc., 2013, 135, 15244-15250 (Highlighted by Nature China, Catalysis: A new way to bind)

 

B. Yang, R. Burch, C. Hardacre, G. Headdock, and P. Hu, Influence of Surface Structures, Subsurface Carbon and Hydrogen and Surface Alloying on the Activity and Selectivity of Acetylene Hydrogenation on Pd Surfaces: a Density Functional Theory Study, J. Catal., 2013, 305, 264-276

 

B. Yang, R. Burch, C. Hardacre, G. Headdock, and P. Hu, Origin of the Increase of Activity and Selectivity of Nickel Doped by Au, Ag, and Cu for Acetylene Hydrogenation, ACS Catal., 2012, 2, 1027-1032