111 citations · 277 across the 11 of their papers we have counts for
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Modulation of the thermodynamic, kinetic and magnetic properties of the hydrogen monomer on graphene by charge doping
Liang Feng Huang, Mei Yan Ni, Guo Ren Zhang +4
The thermodynamic, kinetic and magnetic properties of the hydrogen monomer on doped graphene layers were studied by ab initio simulations. Electron doping was found to heighten the…
The thermodynamic and kinetic properties of hydrogen dimers on graphene
Liang Feng Huang, Mei Yan Ni, Yong Gang li +4
The thermodynamic and kinetic properties of hydrogen adatoms on graphene are important to the materials and devices based on hydrogenated graphene. Hydrogen dimers on graphene with…
An ab initio design of cluster-assembled silicon nanotubes
Lingju Guo, Xiaohong Zheng, Chunsheng Liu +1
Density functional calculations were performed to systematically study a series of finite and infinite cluster-assembled silicon nanotubes (SiNTs). One-dimensional SiNTs can be pre…
Ab initio simulations of the kinetic properties of the hydrogen monomer on graphene
L. F. Huang, M. Y. Ni, X. H. Zheng +3
The understanding of the kinetic properties of hydrogen (isotopes) adatoms on graphene is important in many fields. The kinetic properties of hydrogen-isotope (H, D and T) monomers…
Organometallic Wires Constructed from Transitional Metals and Anthracene: A Theoretical Study
Xianlong Wang, Xiaohong Zheng, Zhi Zeng
The properties of organometallic wires [TM2(Ant)] constructed with transitional metals (TM = Sc, Ti, V, Cr, Mn and Fe) and anthracene (Ant) are investigated by first-principles cal…
Growth model investigation of Vanadium-Benzene Polymer
X. L. Wang, M. Y. Ni, Z. Zeng
Electronic and magnetic properties of VnBzn+1 sandwich clusters are investigated using density functional theory. Growth model is applied to investigate the property change of Vana…