We report the energy level alignment evolution of valence and conduction bands of armchair-
oriented graphene nanoribbons (aGNR) as their band gap shrinks with increasing width. We …

The fabrication of nanostructures in a bottom-up approach from specific molecular
precursors offers the opportunity to create tailored materials for applications in …

The properties of van der Waals (vdW) materials often vary dramatically with the atomic
stacking order between layers, but this order can be difficult to control. Trilayer graphene …

The doping of graphene to tune its electronic properties is essential for its further use in
carbon-based electronics. Adapting strategies from classical silicon-based semiconductor …

Heterostructures of dissimilar 2D materials are potential building blocks for novel materials
and may enable the formation of new (photo) electronic device architectures. Previous work …

The unusual electronic structure of graphene characterized by linear energy dispersion of
bands adjacent to the Fermi level underpins its remarkable transport properties. However …

We review the interaction mechanism of transition metal phthalocyanines (TMPcs, TM= Mn,
Fe, Co) on different metal substrates (Au, Ag, Ni). The interface to Ni is further modified by …

The electronic structure of surface-supported organometallic networks with Ag-bis-acetylide
bonds that are intermediate products in the bottom-up synthesis of graphdiyne and …

We carry out an ab initio study of the structural, electronic, and magnetic properties of zigzag
graphene nanoribbons on Cu (111), Ag (111), and Au (111). Both, H-free and H-terminated …

Here we present a density-functional theory (DFT) study on the suitability of modern
corrections for the inclusion of dispersion-related terms (DFT-D) in treating the interaction of …