Suggested outlines of the final presentation(in English) ·Background Model and Methodology Results and discussions benchmark adsorption structures physical/chemical properties electronic analyses(DOS,band,or charge density) ·Conclusions 。References ·Contributions达Suggested outlines of the final presentation (in English) Background Model and Methodology Results and discussions benchmark adsorption structures physical/chemical properties electronic analyses (DOS, band, or charge density) Conclusions References Contributions