Jianwei Sun

Research Assistant Professor of Physics

Ph.D., Tulane University, 2010

SERC, Room 720A
1925 N. 12th Street 
Philadelphia, PA 19122
215-204-8342
jianweisun@temple.edu

Research Interests

1) Electronic Structure Theory, Quantum Chemistry, Condensed Matter Physics, Materials Science, and Surface Science. 

2) Density functional theory (DFT) and time-dependent DFT : Meta generalized gradient approximation and its hybrid, self-interaction correction, charge transfer, strong correlation, d- and f-electron systems, band gap, excitonic effects, and double excitation.

3) Fundamental properties of two-dimensional (2D) materials and 3D layered materials with and without defects: Optical, electrical, magnetic, thermal, mechanical, and dielectric properties. 

4) Surface catalysis: Surface adsorption and diffussion, water splitting, methane oxidation, carbon monoxide oxidation, and hydrogenation and dehydrogenation.

5) Energy conversion and storage: Layered materials based solar cells, and Li-ion and Li-air batteries.

Key Publications

B. Xiao, J. Sun, A. Ruzsinszky, and J.P. Perdew, Testing the Jacob’s Ladder of Density Functionals for Electronic Structure and Magnetism of Rutile VO2, Phys. Rev. B 2014, 90, 085134 (2014)

J.P. Perdew, A. Ruzsinszky, J. Sun, and K. Burke, Gedanken Densities and Exact Constraints in Density Functional Theory, J. Chem. Phys. 140, 18A533 (2014). 
J. Sun, B. Xiao, Y. Fang, R. Haunschild, P. Hao, A. Ruzsinszky, G. I. Csonka, G.E. Scuseria, and J.P. Perdew, Density Functionals that Recognize Covalent, Metallic, and Weak Bonds, Phys. Rev. Lett. 111, 106401 (2013).

J. Sun, B. Xiao, and A. Ruzsinszky, Communication: Effect of the orbital-overlap dependence in the meta generalized gradient approximation, J. Chem. Phys. 137, 051101 (2012).

J.P. Perdew, A. Ruzsinszky, J. Sun, S. Glindmeyer, and G. I. Csonka, van der Waals Interaction as a Summable Asymptotic Series, Phys. Rev. A  86, 062714 (2012).

J. Sun, M. Marsman, A. Ruzsinszky, G. Kresse, and J.P. Perdew, Improved Lattice Constants, Surface Energies, and CO Desorption Energies from a Semilocal Density Functional, Phys. Rev. B 83,121410 (R) (2011).

J. Sun, J.P. Perdew and M. Seidl, Correlation Energy of the Uniform Electron Gas,  from an Interpolation between High- and Low-Density Limits, Phys. Rev. B 81, 085123 (2010).