Supercomputing Simulations Uncover Electron Orbital Signatures in Iron and Cobalt Atoms.

Scientists have used supercomputer simulations and atomic resolution microscopes to directly observe the signatures of electron orbitals in two different transition-metal atoms, iron (Fe) and cobalt (Co) present in metal-phthalocyanines. The signatures are apparent in the forces measured by atomic force microscopes, which often reflect the underlying orbitals and can be so interpreted. The study could help design and engineer new materials with specific properties, especially in fields such as materials science, nanotechnology, and catalysis.