期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 18, 期 36, 页码 25388-25393出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c6cp03946d
关键词
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资金
- National Natural Science Foundation of China [51371139, U1502274]
- 863 Program [2015AA034304]
- Pivot Innovation Team of Shaanxi Electric Materials and Infiltration Technique [2012KCT-25]
- Science and Technique Innovation Program of Shaanxi Province [2012KTCQ01-14]
Using first-principles calculations, we present a multifunctional material of g-C4N3/graphene bilayer with great potentials in the field of spintronics and photocatalysis. In g-C4N3/graphene bilayer, N atoms create localized spin polarization and p-doped graphene shows high charge carrier density, which makes this nanocomposite a perfect candidate for spintronic applications. Meanwhile, the charge redistribution occurred between the two layers also facilitates the separation of photogenerated electron-hole pairs. Moreover, the inclusion of C atoms into g-C4N3 closes the band gap of g-C4N3/graphene completely and induces more levels near the Fermi energy, and thus the g-C4N3/graphene bilayer displays enhanced visible light absorption compared to the g-C4N3/graphene bilayer.
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