论文成果

发布时间：

2025-04-30

论文名称：

Tuning the electronic and magnetic properties of graphene-like AlN nanosheets by surface functionalization and thickness

发表刊物：

Phys. Chem. Chem. Phys.

摘要：

In this paper, the structural, electronic, and magnetic properties as well as the relative stabilities of fully
and partially hydrogenated AlN nanosheets have been systematically investigated by first-principles
calculations based on density functional theory. The results indicate that full hydrogenation is more
energetically favorable for thinner AlN nanosheets, whereas semi-hydrogenation at N sites is preferred
for thicker ones. Moreover, semiconductor - half-metal - metal transition with nonmagnetic -
magnetic transfer can be achieved for AlN nanosheets by surface hydrogenation and increasing
nanosheet thickness. The diverse electronic and magnetic properties highlight the potential applications
of AlN nanosheets in electronics and spintronics

合写作者：

W. X. Zhang, T. Li, S. B. Gong, C. He*, L. Duana

卷号：

2015, 17, 10919

页面范围：

10919

是否译文：

否

发表时间：

2015-04-08