期刊
APPLIED SURFACE SCIENCE
卷 428, 期 -, 页码 815-818出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.apsusc.2017.09.209
关键词
Beryllium oxide; Monolayers; Honeycomb structure; Low-index transition metal surfaces; LEED; Density functional calculations
From the combined experimental and theoretical investigations, we suggest the formation of a honeycomb structure of BeO monolayer on the Mo(112) surface. This structure is matched to the substrate Mo(112), thus giving the (1 x 1) LEED pattern, and its formation is confirmed also by DFT calculations and work function measurements. While a free BeO monolayer is dielectric, the BeO/Mo(112) system is definitely metallic as follows from the bands crossing E-F and significant density of states at E-F. The honeycomb BeO monolayer is bound to the Mo(112) surface through O atoms situated atop Mo atoms of the surface rows. A substantial rigidity of the BeO monolayer leads to the appearance of empty space above the Mo(112) surface furrows, which may be filled by some gas or water molecules. Hence, this layered system can be very attractive in various applications where porous materials are explored (e.g. for hydrogen storage purposes). (C) 2017 Elsevier B.V. All rights reserved.
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