199 citations · 648 across the 17 of their papers we have counts for
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Switching and Rectification of a Single Light-sensitive Diarylethene Molecule Sandwiched between Graphene Nanoribbons
Yongqing Cai, Aihua Zhang, Yuan Ping Feng +1
The 'open' and 'closed' isomers of the diarylethene molecule that can be converted between each other upon photo-excitation are found to have drastically different current-voltage…
Dielectric properties and lattice dynamics of alpha-PbO2-type TiO2: The role of soft phonon modes in pressure-induced phase transition to baddeleyite-type TiO2
Yongqing Cai, Chun Zhang, Yuan Ping Feng
Dielectric tensor and lattice dynamics of alpha-PbO2-type TiO2 have been investigated using the density functional perturbation theory, with a focus on responses of the vibrational…
Adsorbate and defect effects on electronic and transport properties of gold nanotubes
Yongqing Cai, Miao Zhou, Minggang Zeng +2
First-principles calculations have been performed to study the effects of adsorbates (CO molecules and O atoms) and defects on electronic structures and transport properties of Au…
Strain effects on work functions of pristine and potassium-decorated carbon nanotubes
Yongqing Cai, Aihua Zhang, Yuan Ping Feng +3
Strain dependence of electronic structures and work functions of both pristine and potassium doped (5,5) (armchair) and (9,0) (zigzag) carbon nanotubes (CNTs) has been thoroughly s…
Bandgap engineering of zigzag graphene nanoribbons by manipulating edge states via defective boundaries
Aihua Zhang, Yihong Wu, San-Huang Ke +2
One of severe limits of graphene nanoribbons (GNRs) in future applications is that zigzag GNRs (ZGNRs) are gapless, so cannot be used in field effect transistors (FETs). In this pa…