Self-assembly of metal atoms (Na, K, Ca) on graphene.Nanoscale,2014,null Nanoscale, 2014.

Experimental observation of TiN12+ cluster and theoretical investigation of its stable and metastable isomers.Chem. Sci.,2015,null Chem. Sci., 2015.

Giant magnetocrystalline anisotropy of 5d transition metal-based phthalocyanine Sheet.Phys. Chem. Chem. Phys.,2015,null Phys. Chem. Chem. Phys., 2015.

High-temperature superconductivity in heavily N- or B-doped graphene.Phys. Rev. B,2015,null Phys. Rev. B, 2015.

Thermoelectric Properties of Single-layer SnSe Sheet.Nanoscale,2015,null Nanoscale, 2015.

Computational study on the modulation of lattice thermal conductivity of 2D penta- sheets via interlayer twisting, National Natural Science Foundation of China (NSFC) , 2023-01-01

Computational design of porous anode materials with light mass and high performance for sodium-ion batteries, National Natural Science Foundation of China (NSFC) , 2020-01-01

Design and Synthesis of Novel N-doped Carbon Materials for Energy and Environment Applications, Ministry of Science and Technology of the People's Republic of China , 2017-01-01