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Surface chemistry of porphyrins and phthalocyanines
JM Gottfried - Surface Science Reports, 2015 - Elsevier
This review covers the surface chemistry of porphyrins, phthalocyanines, their metal
complexes, and related compounds, with particular focus on chemical reactions at …
complexes, and related compounds, with particular focus on chemical reactions at …
On-surface synthesis of graphene nanostructures with π-magnetism
Graphene nanostructures (GNs) including graphene nanoribbons and nanoflakes have
attracted tremendous interest in the field of chemistry and materials science due to their …
attracted tremendous interest in the field of chemistry and materials science due to their …
A single iron site confined in a graphene matrix for the catalytic oxidation of benzene at room temperature
Coordinatively unsaturated (CUS) iron sites are highly active in catalytic oxidation reactions;
however, maintaining the CUS structure of iron during heterogeneous catalytic reactions is a …
however, maintaining the CUS structure of iron during heterogeneous catalytic reactions is a …
Towards single molecule switches
The concept of using single molecules as key building blocks for logic gates, diodes and
transistors to perform basic functions of digital electronic devices at the molecular scale has …
transistors to perform basic functions of digital electronic devices at the molecular scale has …
Ab‐initio simulations of materials using VASP: Density‐functional theory and beyond
J Hafner - Journal of computational chemistry, 2008 - Wiley Online Library
During the past decade, computer simulations based on a quantum‐mechanical description
of the interactions between electrons and between electrons and atomic nuclei have …
of the interactions between electrons and between electrons and atomic nuclei have …
First-principles investigation of the very large perpendicular magnetic anisotropy at FeMgO and CoMgO interfaces
The perpendicular magnetic anisotropy (PMA) arising at the interface between
ferromagnetic transition metals and metallic oxides was investigated via first-principles …
ferromagnetic transition metals and metallic oxides was investigated via first-principles …
[HTML][HTML] Electronic, structural and chemical effects of charge-transfer at organic/inorganic interfaces
During the last decade, interest on the growth and self-assembly of organic molecular
species on solid surfaces spread over the scientific community, largely motivated by the …
species on solid surfaces spread over the scientific community, largely motivated by the …
Robust spin crossover and memristance across a single molecule
A nanoscale molecular switch can be used to store information in a single molecule.
Although the switching process can be detected electrically in the form of a change in the …
Although the switching process can be detected electrically in the form of a change in the …
Competition of superconducting phenomena and Kondo screening at the nanoscale
Magnetic and superconducting interactions couple electrons together to form complex states
of matter. We show that, at the atomic scale, both types of interactions can coexist and …
of matter. We show that, at the atomic scale, both types of interactions can coexist and …
Theory of spin torque due to spin-orbit coupling
The combined effect of spin-orbit coupling and exchange interaction in a single
ferromagnetic layer is investigated. It is shown that, in nonequilibrium regime, the spin-orbit …
ferromagnetic layer is investigated. It is shown that, in nonequilibrium regime, the spin-orbit …