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Electronic properties of zigzag boron nitride nanoribbons periodically embedded with four- and eight-membered rings
Molecular Simulation ( IF 1.9 ) Pub Date : 2020-05-03 , DOI: 10.1080/08927022.2020.1726912
Ling-Ling Zhang 1 , Yan-Bo Zou 1 , Jun-Zhe Lu 1, 2 , Heng-Jiang Zhu 1, 2 , Xiao-Ning Wang 1
Affiliation  

ABSTRACT We systematically studied the electronic properties of zigzag boron nitride nanoribbons periodically embedded with four- and eight-membered rings (new ZBNNRs) and the influence of vacancies on the electronic properties. The results reveal that the band gap of the new ZBNNRs is greatly reduced, down to a range of 3.830–3.995 eV, enabling the allotropes to display semiconductor properties and satisfying the requirements of the third-generation semiconductor bandgap width, and can provide high-quality materials for the preparation of third-generation semiconductor nanodevices. Second, although the vacancy has not changed the semiconductor characteristics of the new ZBNNRs, the band-gap bandwidth will be reduced to some extent due to the difference in vacancy position and electronic state.

中文翻译:

周期性嵌入四元环和八元环的锯齿形氮化硼纳米带的电子特性

摘要 我们系统地研究了周期性嵌入四元环和八元环的锯齿形氮化硼纳米带(新型 ZBNNRs)的电子特性以及空位对电子特性的影响。结果表明,新型 ZBNNRs 的带隙大大减小,降至 3.830-3.995 eV 的范围,使同素异形体能够显示半导体性能并满足第三代半导体带隙宽度的要求,并且可以提供高用于制备第三代半导体纳米器件的优质材料。其次,虽然空位没有改变新型ZBNNRs的半导体特性,但由于空位位置和电子态的差异,带隙带宽会有所降低。
更新日期:2020-05-03
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