Emergence of π-magnetism in open-shell nanographenes has been theoretically predicted
decades ago but their experimental characterization was elusive due to the strong chemical …

Graphene nanostructures (GNs) including graphene nanoribbons and nanoflakes have
attracted tremendous interest in the field of chemistry and materials science due to their …

CP2K is an open source electronic structure and molecular dynamics software package to
perform atomistic simulations of solid-state, liquid, molecular, and biological systems. It is …

The electronic properties of finite-sized graphene fragments are strongly dependent on their
topological structures. The existence of two or more extended zigzag edges could lead to …

The design of open-shell carbon-based nanomaterials is at the vanguard of materials
science, steered by their beneficial magnetic properties like weaker spin–orbit coupling than …

Acenes represent a unique class of polycyclic aromatic hydrocarbons that have fascinated
chemists and physicists due to their exceptional potential for use in organic electronics …

Acenes, consisting of linearly fused benzene rings, are an important fundamental class of
organic compounds with various applications. Hexacene is the largest acene that was …

The on-surface reactions of 10-bromo-10′-(2, 6-dimethylphenyl)-9, 9′-bianthracene on Au
(111) have been investigated by scanning tunneling microscopy and spectroscopy …

The acene series represents a model system to investigate the intriguing electronic
properties of extended π-electron structures in the one-dimensional limit, which are …

Although polycyclic conjugated hydrocarbons (PCHs) and their analogues have gained
great progress in the fields of organic photoelectronic materials, the in‐depth study on …