Device applications of low‐dimensional semiconductor nanostructures rely on the ability to
rationally tune their electronic properties. However, the conventional doping method by …

Two‐dimensional materials have become one of the hottest topics in physics, chemistry, and
materials science during the past decade owing to their outstanding physical and chemical …

Using first-principles calculations, we investigate the effect of molecular doping and sulfur
vacancy on the electronic properties and charge modulation of monolayer MoS2. It is found …

Using density functional theory calculations, we demonstrate that the electronic and optical
properties of a buckled arsenene monolayer can be tuned by molecular doping. Effective p …

Corrosion protection efficiency of graphene was enhanced by modifying the surface of
graphene-coated carbon steel (CS/G) using aromatic molecules. Aniline, 1-naphthylamine …

Silicon carbide has emerged as an optimal semiconducting support for graphene growth. In
previous studies, the formation of an interfacial graphene-like buffer layer covalently bonded …

We have investigated the electronic properties of 1-, 2-, and 3-layer graphene upon surface
adsorption of halogen molecules by means of density functional calculations. The most …

Using first-principles calculations, we show that p-doped blue phosphorene can be obtained
by molecular doping with 2, 3, 5, 6-tetrafluoro-7, 7, 8, 8-tetracyanoquinodimethane (F 4 …

We use first-principles simulations to investigate the structural and electronic properties of a
heterostructure formed by graphene and monolayer GeI 2 (m-GeI 2). While graphene has …

Potential applications of 2D metal–organic frameworks (MOF) require the frameworks to be
monophase and well-defined at the atomic scale, to be decoupled from the supporting …