Functionalization of monolayer MoS2 by substitutional doping: A first-principles study

Electron-beam mediated substitutional doping of monolayer MoS2 was recently demonstrated, opening a new way to modify its properties. Using first-principles calculations, the structural, electronic and magnetic properties of monolayer MoS2 doped with nonmetal and transition-metal atoms are investiga...

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Veröffentlicht in:	Physics letters. A 2013-08, Vol.377 (19-20), p.1362-1367
Hauptverfasser:	Yue, Qu, Chang, Shengli, Qin, Shiqiao, Li, Jingbo
Format:	Artikel
Sprache:	eng
Schlagworte:	Chromium Doping Electronics First-principles calculations Half-metal Magnetic moment Mathematical analysis Molybdenum disulfide Monolayers Semiconductors Solid state physics Substitutional doping
Online-Zugang:	Volltext
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