期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 17, 期 35, 页码 23207-23213出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c5cp02855h
关键词
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资金
- National Natural Science Foundation of China (NSFC) [51177006, 51301020, 51471124]
- Natural Science Foundation of Shaanxi province, China [2014JQ6196]
- PhD Programs Foundation of Ministry of Education of China [20110201120002]
- special fund for basic scientific research of central colleges of Chang'an University [2013G1311053]
- National Training Programs of Innovation and Entrepreneurship for Undergraduates [201310710064]
In this study, structural, electronic, and magnetic properties of monolayer MoS2 on decorated AlN nanosheets have been systematically investigated using density functional theory with van der Waals corrections. The results indicate that the surface microstructure of the AlN substrate and stacking patterns significantly affect the electronic and magnetic properties of heterostructures. Moreover, the n type semiconductor to p type semiconductor to metal transition accompanied with the nonmagnetic to magnetic transfer can be achieved for monolayer MoS2. The diverse electronic and magnetic properties highlight the potential of MoS2 nanosheets for applications in electronics and spintronics.
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