Replacing precious platinum with earth‐abundant materials for the oxygen reduction
reaction (ORR) in fuel cells has been the objective worldwide for several decades. In the last …

Fluorine‐based chemistry is widely used in commercial battery technology, from primary
batteries consisting of Li/CFx to binders for electrodes in secondary lithium‐ion batteries …

Monolayer germanium sulfide (GeS) has gained significant attention for its exceptional
anisotropic electronic conductance, notable excitonic effects, and wide range of …

Structure-and Adatom-Enriched Essential Properties of Graphene Nanoribbons offers a
systematic review of the feature-rich essential properties in emergent graphene …

We present density functional theory (DFT) calculations of the electronic and magnetic
properties of fluorine adatoms on a single side of a graphene monolayer. By extrapolating …

Carbon atoms could form 3D diamond, 3D graphites, two-dimensional layered graphenes,
one-dimensional (1D) graphene nanoribbons, 1D carbon nanotubes, 0D carbon toroids, 0D …

Graphene, graphene oxide (GO) and graphene quantum dots (GQDs) are expected to play a
vital role in the diagnosis of severe ailments. Computer-based simulation approaches are …

Through the first-principles calculations, a generalized theoretical framework is used to
systematically investigate the structural and electronic properties of the buckled SiC 2 …

Multilayered van der Waals (vdW) vertical heterostructures are a promising avenue for
combining different two-dimensional materials to achieve desirable properties for numerous …

Diverse magnetic and electronic properties of halogen-adsorbed silicene are investigated
by the first-principle theoretical framework, including the adatom-diversified geometric …