80 citations · 166 across the 12 of their papers we have counts for
12 papers
A Primary Exploration to Quasi-Two-Dimensional Rare-Earth Ferromagnetic Particles: Holmium-Doped MoS2 Sheet as Room-Temperature Magnetic Semiconductor
Xi Chen, Zheng-Zhe Lin
Recently, two-dimensional materials and nanoparticles with robust ferromagnetism are even of great interest to explore basic physics in nanoscale spintronics. More importantly, roo…
Single-layer graphdiyne on Pt(111): Improved catalysis confined under two-dimensional overlayer
Zheng-Zhe Lin, Xi Chen
In recent years, two-dimensional confined catalysis, i.e. the enhanced catalytic reactions in confined spaces between metal surface and two-dimensional overlayer, makes a hit and o…
Tunable laser and photocurrents from linear atomic C chains
Zheng-Zhe Lin
By a tight-binding model, the interaction between linear atomic C chains (LACCs) and short laser pulses was investigated. LACCs were proposed to be used as a medium of laser whose…
Graphdiyne as a Promising Substrate for Stabilizing Pt Nanoparticle Catalyst
Zheng-Zhe Lin
At present, Pt nanoparticle catalysts in fuel cells suffer from aggregation and loss of chemical activity. In this work, graphdiyne, which has natural porous structure, was propose…
Ultrafast dynamics and fragmentation of C60 in intense laser pulses
Zheng-Zhe Lin, Xi Chen
The radiation-induced fragmentation of the C60 fullerene was investigated by the tight-binding electron-ion dynamics simulations. In intense laser field, the breathing vibrational…
Spin-polarized currents generated by magnetic Fe atomic chains
Zheng-Zhe Lin, Xi Chen
Fe-based devices are widely used in spintronics because of high spin-polarization and magnetism. In this work, free-standing Fe atomic chains were proposed to be used as the thinne…
Theoretical investigation on isomer formation probability and free energy of small C clusters
Zheng-Zhe Lin
Molecular dynamics simulations and free energy calculations were employed to investigate the evolution, formation probability, detailed balance and isomerization rate of small C cl…
Theoretical investigation of thermodynamic balance between cluster isomers and statistical model for predicting isomerization rate
Zheng-Zhe Lin
By molecular dynamics simulations and free energy calculations based on Monte Carlo method, the detailed balance between Pt cluster isomers was investigated. For clusters of n<=50,…
Single molecule capturer by doped monatomic carbon chain
Zheng-Zhe Lin, Xi Chen
The B-doped monatomic carbon chain has fine molecular capture ability to H2O and especially to NO2, better than other doped monatomic carbon chains.At 300 K and 1 atm, the capture…
Predicting the chemical stability of monatomic chains
Zheng-Zhe Lin, Xi Chen
A simple model for evaluating the thermal atomic transfer rates in nanosystems [EPL 94, 40002 (2011)] was developed to predict the chemical reaction rates of nanosystems with small…
Modulating the electronic properties of graphdiyne nanoribbons
Zheng-Zhe Lin, Qun Wei, Xuanmin Zhu
By ab initio calculation, Au, Cu, Fe, Ni and Pt adatoms were proposed for modulating the electronic property of graphdiyne naoribbons (GDNRs). GDNRs of 1~4 nm in width were found t…
If graphynes turn into graphene: the thermal stability study
Yi-Guo Xu, Chen Ming, Zheng-Zhe Lin +3
The thermal stability of -, -, 6,6,12-graphyne and graphdiyne was studied by a statistic model, which was seriously tested by classical molecular dynamics simulations. By fir…