Related papers: First-principles study of two-dimensional van der …
Combining the electronic properties of graphene and molybdenum disulphide (MoS$_2$) monolayers in two-dimensional (2D) ultrathin hybrid nanocomposites have been synthesized experimentally to create excellent electronic, electrochemical,…
Poor electrical conductivity and large volume expansion during repeated charge and discharge is what has characterized many battery electrode materials in current use. This has led to 2D materials, specifically multi-layered 2D systems,…
Recent discovery of a novel hexagonal phase of GeSe (Gamma-GeSe) has triggered great interests in nanoelectronics applications owing to its electrical conductivity of bulk phase even higher than graphite while its monolayer is a…
The discovery of graphene and its fascinating capabilities have triggered an unprecedented interest in inorganic two-dimensional (2D) materials. Van der Waals (vdW) layered materials as graphene, hexagonal boron nitride (hBN), transition…
The emerging interest in van der Waals heterostructures as new materials for opto-electronics and photonics poses questions about their stability and structure-property relations. In the framework of density-functional and many-body…
Two dimensional (2D) materials, e.g. graphene, transition metal dichalcogenides (TMDs), black phosphorus (BP), have demonstrated fascinating electrical and optical characteristics and exhibited great potential in optoelectronic…
Combining the electronic structures of two-dimensional monolayers in ultrathin hybrid nanocomposites is expected to display new properties beyond their simplex components. Here, first-principles calculations are performed to study the…
Since the first successful synthesis of graphene just over a decade ago, a variety of two-dimensional (2D) materials (e.g., transition metal-dichalcogenides, hexagonal boron-nitride, etc.) have been discovered. Among the many unique and…
The transition-metal dichalcogenide (TMDC) in the family of $\mathrm{MX}_2$ ($\mathrm{M}=\mathrm{Mo},\mathrm{W}$; $\mathrm{X}=\mathrm{S},\mathrm{Se}$) and the graphene monolayer are atomically thin semiconductors and semimetal,…
Research on graphene and other two-dimensional atomic crystals is intense and likely to remain one of the hottest topics in condensed matter physics and materials science for many years. Looking beyond this field, isolated atomic planes can…
We performed density functional theory (DFT) calculations for a bi-layered heterostructure combining a graphene layer with a MoS2 layer with and without intercalated Li atoms. Our calculations demonstrate the importance of the van der Waals…
The emerging two-dimensional (2D) materials exhibit a wide range of electronic properties, ranging from insulating hexagonal boron nitride, semiconducting transition metal dichalcogenides such as molybdenum disulfide, to semi-metallic…
After the first unequivocal demonstration of spin transport in graphene (Tombros et al., 2007), surprisingly at room temperature, it was quickly realized that this novel material was relevant for both fundamental spintronics and future…
Surface enhanced Raman spectroscopy (SERS) is a precise and non-invasive analytical technique that is widely used in chemical analysis, environmental protection, food processing, pharmaceutics, and diagnostic biology. However, it is still a…
Two-dimensional (2D) materials have disrupted materials science due to the development of van der Waals technology. It enables the stacking of ultrathin layers of materials characterized by vastly different electronic structures to create…
Two-dimensional (2D) materials have captured the attention of the scientific community due to the wide range of unique properties at nanometer-scale thicknesses. While significant exploratory research in 2D materials has been achieved, the…
Assembling different two-dimensional (2D) crystals, covering a very broad range of properties, into van der Waals (vdW) heterostructures enables the unprecedented possibilities for combining the best of different ingredients in one…
Studies of the structural, electronic, and optical characteristics of the interfaces between graphene and ZnO polar surfaces is carried out using first-principles simulations. At the interface, a strong van der Waals force is present, and…
By investigating the optoelectronic properties of prototypical graphene/hexagonal boron nitride (h-BN) heterostructures, we demonstrate how a nanostructured combination of these materials can lead to a dramatic enhancement of light-matter…
Vertical stacking of atomically thin materials offers a large platform for realizing novel properties enabled by proximity effects and moir\'e patterns. Here we focus on mechanically assembled heterostructures of graphene and ReS$_2$, a van…