Surface with well-defined components and structures possesses unique electronic,
magnetic, optical and chemical properties. As a result, surface chemistry research plays a …

Remarkable magnetic anisotropy provides more possibilities in electronic devices such as
quantum information storage and processing. Here, based on first-principles calculations …

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

The interaction of a 2D metal–organic network (MON) stacked on graphene has been
studied with the help of first-principles density functional theory (DFT) and DFT+ U …

Microscopes have been used for centuries to investigate tiny objects. While conventional
microscopes base on optical principles using light or electron beams, scanning probe …

Fabrication of molecular assemblies by arranging molecules through on-surface chemical
reactions is an attractive way of functionalizing nanosheets chemically. Here, we study …

An interface of molecule and metal has attracted much attention in the research field of
nanoelectronics because of their high degree of design freedom. Here, we demonstrate an …

Functional molecules and their assemblies have attracted considerable attention arising
from not only diverse structures with novel properties but also potential applications in …

Using density-functional theory, we investigate the electronic and magnetic properties of an
adatom (Na, Cu and Fe) on ABA-and ABC-stacked (Bernal and rhombohedral) trilayer …

Adsorptions of gas molecules were found to alter the directions and magnitudes of magnetic
moments of transition metal (Co, Fe) atoms adsorbed on graphene. Using first-principles …