Tailoring the germanene–substrate interactions by means of hydrogenation. Issue 23 (25th May 2016)

• Record Type: Journal Article
• Authors: Marjaoui, Adil; Stephan, Régis; Hanf, Marie-Christine; Diani, Mustapha; Sonnet, Philippe
• Is Part Of: Physical chemistry chemical physics. Volume 18:Issue 23(2016)
• Page Start: 15667
• Page End: 15672
• Publication Date: 2016-05-25
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/c6cp01906d
• Languages: English
• ISSNs: 1463-9076

Abstract

Abstract : The interactions between the Ge atoms of a germanene layer and an Al(111) substrate are weakened by hydrogenation. Abstract : Thanks to density functional calculations, the influence of hydrogenation on the interactions between a (2 × 2) germanene layer and a (3 × 3) Al(111) substrate has been investigated. It appears that the Ge–Al inter-atomic distance increases with hydrogen coverage, while the interaction energy and charge transfer between the Ge layer and the Al topmost plane drastically diminish, thus reducing the electrostatic interactions. Moreover, hydrogenation also lowers the electron density at the interface, weakening the chemical interaction between the Ge layer and the Al surface, and opening the door to a possible decoupling of the germanene layer from the Al substrate.