한국진공학회:학술대회논문집 (Proceedings of the Korean Vacuum Society Conference)
- 한국진공학회 2013년도 제44회 동계 정기학술대회 초록집
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- Pages.269-269
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- 2013
Contribution of van der Waals Interactions to the Adsorption Energy of $C_2H_2$ , $C_2H_4$ , and $C_6H_6$ on Si(100)
- 발행 : 2013.02.18
초록
Usingvan der Waals (vdW) energy-corrected density-functional theory without or with self-consistent screening (SCS) effects, we calculate the adsorption energy of acetylene, ethylene and benzene on Si(100). We find that vdW interactions without SCS effects increase the adsorption energy by 0.23, 0.30, and 0.64 eV for adsorbed