Insight into the effects of surface oxidation and carbonization on the electronic properties of silicon quantum dots and silicon slabs: a density functional study

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	Insight into the effects of surface oxidation and carbonization on the electronic properties of silicon quantum dots and silicon slabs: a density functional study
	Zeng, Yuheng ; Chen, Liang ; Liu, Guoqiang ; Xu, Hua ; Song, Weijie
刊名	RSC ADVANCES
	2014
卷号	4 期号:105 页码:60948
中文摘要	In this work, we investigated the effects of surface backbond-oxygen oxidation and surface substitute-carbon carbonization on carrier recombination and transportation of 10-, 12-and 14 angstrom Si quantum dots (QDs). In general, surface oxidation lowered the density of states (DOS) near the Fermi level and induced the inward shift of the frontier-level isosurface, whereas surface carbonization induced the opposite effects. As indicated by the calculation, surface oxidation suppressed carrier recombination and carrier transportation, while surface carbonization enhanced it. Our further studies revealed that the effects of surface oxidation and carbonization were also applicable to Si slabs with different orientations. In summary, our work suggested that to dope a certain amount of oxygen into surface carbonized Si quantum-dots or Si bulk material might be a pathway to passivate surface defects by means of surface oxidation.
公开日期	2015-09-20
内容类型	期刊论文
源URL	[http://ir.nimte.ac.cn/handle/174433/11979]
专题	宁波材料技术与工程研究所_2014专题
推荐引用方式 GB/T 7714	Zeng, Yuheng,Chen, Liang,Liu, Guoqiang,et al. Insight into the effects of surface oxidation and carbonization on the electronic properties of silicon quantum dots and silicon slabs: a density functional study[J]. RSC ADVANCES,2014,4(105):60948.
APA	Zeng, Yuheng,Chen, Liang,Liu, Guoqiang,Xu, Hua,&Song, Weijie.(2014).Insight into the effects of surface oxidation and carbonization on the electronic properties of silicon quantum dots and silicon slabs: a density functional study.RSC ADVANCES,4(105),60948.
MLA	Zeng, Yuheng,et al."Insight into the effects of surface oxidation and carbonization on the electronic properties of silicon quantum dots and silicon slabs: a density functional study".RSC ADVANCES 4.105(2014):60948.