R. Q. Zhang

Publication List Details

Period

1999 - 2009

Number

7

Co-Authors

Atomistic simulations of self-trapped exciton formation in silicon nanostructures: The transition from quantum dots to nanowires (2009)

Wang, Y., Zhang, R. Q., Frauenheim, Th., Niehaus, T. A.

Using an approximate time-dependent density functional theory method, we calculate the absorption and luminescence spectra for hydrogen passivated silicon nanoscale structures with large aspect...

Al doped graphene: A promising material for hydrogen storage at room temperature (2008)

Ao, Z. M., Jiang, Q., Zhang, R. Q., Tan, T. T., Li, S.

A promising material for hydrogen storage at room temperature-Al doped graphene was proposed theoretically by using density functional theory calculation. Hydrogen storage capacity of 5.13 wt% was...

Theoretical study on misoriented diamond nucleations on Si (001) surface (1999)

Zhang, R.Q., Zhang, W.J., Sun, C., Jiang, X.

The misoriented diamond nucleations directly on Si (001) surfaces were theoretically studied by means of molecular orbital PM3 theory and molecular mechanics/dynamics. Particular attention has been...