The Effect of Hydrogen and Fluorine Coadsorption on the Piezoelectric Properties of Graphene

详细信息    查看全文

• 作者：Mitchell T. Ong ; Karel-Alexander N. Duerloo ; Evan J. Reed
• 刊名：The Journal of Physical Chemistry C
• 出版年：2013
• 出版时间：February 21, 2013
• 年：2013
• 卷：117
• 期：7
• 页码：3615-3620
• 全文大小：290K
• 年卷期：v.117,no.7(February 21, 2013)
• ISSN：1932-7455

文摘

Motivated by a search for electromechanical coupling in monolayer materials, we study graphene chemically modified by hydrogen adsorbed on one side and fluorine adsorbed on the other side. Such adsorption under experimental conditions can potentially lead to a variety of configurations of atoms on the surface. We perform an exhaustive evaluation of candidate configurations for two stoichiometries, C₂HF and C₄HF, and examine their electromechanical properties using density functional theory. While all configurations exhibit an e₃₁ piezoelectric effect, the lowest energy configuration additionally exhibits an e₁₁ effect. Therefore, both e₃₁ and e₁₁ piezoelectricity can potentially be engineered into nonpiezoelectric monolayer graphene, providing an avenue for monolithic integration of electronic and electromechanical devices in graphene monolayers for resonators, sensors, and nanoelectromechanical systems (NEMS).