| 氧原子吸附调控蓝磷/石墨烯异质结构的肖特基势垒 | |
| Schottky barrier of blue phosphorus/graphene heterostructure regulated by the adsorption of oxygen atoms | |
| 摘要: 控制纳米电子器件的p型传输仍然是降低肖特基势垒的主要挑战。为了解决这个问题，采用半经验色散校正方案的第一性原理，系统研究了不同浓度的O原子吸附掺杂对蓝磷/石墨烯异质结构层间相互作用和电子性质的影响。结果表明，异质结界面内的O原子吸附可以增强界面结合。并通过改变界面内O原子吸附浓度来调节p型肖特基势垒的高度。进一步发现，通过增加界面内O原子的吸附浓度，可以降低p型肖特基势垒的高度，从而实现高效的电荷转移。最后，界面电荷的重新分布会导致费米能级的移动，而费米能级决定了肖特基势垒的高度。 | |
| 关键词: 蓝磷 石墨烯 氧吸附 肖特基势垒 异质结 | |
| 基金项目: 国家自然科学基金(No.11604089)资助。 | |
| Abstract: Controlling the p-type transmission operation of nanoelectronics remains a major challenge in lowering the Schottky barrier. To solve this problem, we systematically investigated the effects of O atoms adsorption doped on the interlayer interactions and electronic properties of the BP/graphene (BP=blue phosphorus) heterostructures by first-principles calculations incorporating a semiempirical dispersion-correction scheme. The results show that the interfacial binding can be enhanced by O atom adsorption doped inside the interface. The height of the Schottky barrier can be adjusted by changing the concentration of O atom adsorption doped inside the interface. It is further found that by increasing the concentration of O atoms inside the interface, a low p - type Schottky barrier can be obtained, thereby achieving efficient charge transfer. Finally, it is confirmed that the redistribution of the interfacial charge leads to the movement of the Fermi level, which determines the height of the Schottky barrier. | |
| Keywords: blue phosphorus graphene oxygen adsorption Schottky barrier heterojunction | |
| 投稿时间：2023-03-09 修订日期：2023-09-16 | |
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| 段汪洋,程悦桓,胡吉松,马新国,裴玲.氧原子吸附调控蓝磷/石墨烯异质结构的肖特基势垒[J].无机化学学报,2023,39(10):1980-1990. | |
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