Biosketch:

2011-2014: PhD, College of Electronic Science and Engineering, Jilin University, China.

2008-2011: M. Sc., College of Physics, Jilin University, China.

2004-2008: B. Sc., College of Physics, Jilin University, China.

Research areas:

1. Defeat behaviors in semiconductor surface with first-principles simulation;

2. Photocatalysis progress on oxide surface with first-principles simulation.

Selected Publications:

1. Sheng-Yi Xie, Xian-Bin Li, Y. Y. Sun, Y.L. Zhang, D. Han, W. Q. Tian, W. Q. Wang, Y. S. Zheng, Theoretical characterization of reduction dynamics for graphene oxide by alkaline-earth metals, Carbon 52, 122 (2013)

2. L. Li, Y. Wang, Sheng-Yi Xie, Xian-Bin Li, Y. Q. Wang, R. Wu, Hong-Bo Sun, S. B. Zhang, H. J. Gao, Two-dimensional transition metal honeycomb realized: Hf on Ir (111), Nano lett. 13 (10), 4671 (2013)

3. Sheng-Yi Xie, Xian-Bin Li, Wei-Quan Tian, Nian-Ke Chen, Xu-Lin Zhang, Ye-Liang Wang, Sheng-Bai Zhang, and Hong-Bo Sun, First-principles calculations of a robust two-dimensional boron honeycomb sandwiching a triangular molybdenum layer, Phys. Rev. B 90, 035447 (2014).

4. Sheng-Yi Xie, Xian-Bin Li, Wei-Quan Tian, Dan Wang, Nian-Ke Chen, Dong Han, and Hong-Bo Sun, Slide fastener reduction of graphene oxide edges by calcium: insight from ab initio molecular dynamics, Chem. Phys. Chem. 15, 2707 (2014).

5. Sheng-Yi Xie, Xian-Bin Li, Wei Quan Tian, Nian-Ke Chen, Yeliang Wang, Shengbai Zhang, and Hong-Bo Sun, Novel two-dimensional MgB₆ crystal: metal-layer stabilized boron kagome lattice, Phys. Chem. Chem. Phys. 17, 1093 (2015).

6. Nian-Ke Chen, Xian-Bin Li, Xue-Peng Wang, Meng-Jiao Xia, Sheng-Yi Xie, Hai-Yu Wang, Zhitang Song, Shengbai Zhang and Hong-Bo Sun, Origin of high thermal stability of amorphous Ge1Cu2Te3 alloy: A significant Cu-bonding reconfiguration modulated by Te lone-pair electrons for crystallization, Acta Mater. 90, 88 (2015)

7. Dan Wang, Dong Han, Xian-Bin Li, Sheng-Yi Xie, Nian-Ke Chen, W. Q. Tian, Damien West, Hong-Bo Sun and S. B. Zhang, Determination of formation and ionization energies of charged defects in two-dimensional materials, Phys. Rev. Lett. 114, 196801 (2015）