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Using in situ low-energy electron microscopy and density functional theory, we studied the growth structure and work function of bilayer graphene on Pd(111). Low-energy electron diffraction analysis established that the two graphene layers have multiple rotational orientations relative to each other and the substrate plane. We observed heterogeneous nucleation and simultaneous growth of multiple, faceted layers prior to the completion of second layer. We propose that the facetted shapes are due to the zigzag-terminated edges bounding graphene layers growing under the larger overlying layers. We also found that the work functions of bilayer graphene domains are higher than those of monolayer graphene, and depend sensitively on the orientations of both layers with respect to the substrate. Based on first-principles simulations, we attribute this behavior to oppositely oriented electrostatic dipoles at the graphene/Pd and graphene/graphene interfaces, whose strengths depend on the orientations of the two graphene layers.
We determine the ground-state structure of a double vacancy in a hydrogen monolayer on the Pd(111) surface. We represent the double vacancy as a triple vacancy containing one additional hydrogen atom. The potential-energy surface for a hydrogen atom
Advances in hybrid organic/inorganic architectures for optoelectronics can be achieved by understanding how the atomic and electronic degrees of freedom cooperate or compete to yield the desired functional properties. Here we show how work-function c
Large-area bilayer graphene (BG) is grown epitaxially on Ru(0001) surface and characterized by low temperature scanning tunneling microscopy. The lattice of the bottom layer of BG is stretched by 1.2%, while strain is absent from the top layer. The l
Ultrathin (111)-oriented polar iron oxide films were grown on a Pt(111) single crystal either by the reactive deposition of iron or oxidation of metallic iron monolayers. These films were characterized using low energy electron diffraction, scanning
We report on the charge spill-out and work function of epitaxial few-layer graphene on 6H-SiC(0001). Experiments from high-resolution, energy-filtered X-ray photoelectron emission microscopy (XPEEM) are combined with ab initio Density Functional Theo