[HTML][HTML] Mechanical properties of graphene and graphene-based nanocomposites
In this present review, the current status of the intrinsic mechanical properties of the
graphene-family of materials along with the preparation and properties of bulk graphene …
graphene-family of materials along with the preparation and properties of bulk graphene …
Strain engineering of graphene: a review
Graphene has intrigued the science community by many unique properties not found in
conventional materials. In particular, it is the strongest two-dimensional material ever …
conventional materials. In particular, it is the strongest two-dimensional material ever …
Charge density waves and electronic properties of superconducting kagome metals
Kagome metals AV 3 Sb 5 (A= K, Rb, and Cs) exhibit intriguing superconductivity below
0.9∼ 2.5 K, a charge density wave (CDW) transition around 80∼ 100 K, and Z 2 topological …
0.9∼ 2.5 K, a charge density wave (CDW) transition around 80∼ 100 K, and Z 2 topological …
Intercalated architecture of MA2Z4 family layered van der Waals materials with emerging topological, magnetic and superconducting properties
The search for new two-dimensional monolayers with diverse electronic properties has
attracted growing interest in recent years. Here, we present an approach to construct MA2Z4 …
attracted growing interest in recent years. Here, we present an approach to construct MA2Z4 …
Half-Metallic Ferromagnetism and Surface Functionalization-Induced Metal–Insulator Transition in Graphene-like Two-Dimensional Cr2C Crystals
Graphene-like two-dimensional materials have garnered tremendous interest as emerging
device materials for nanoelectronics due to their remarkable properties. However, their …
device materials for nanoelectronics due to their remarkable properties. However, their …
Energetics, charge transfer, and magnetism of small molecules physisorbed on phosphorene
First-principles calculations are performed to investigate the interaction of physisorbed small
molecules, including CO, H2, H2O, NH3, NO, NO2, and O2, with phosphorene, and their …
molecules, including CO, H2, H2O, NH3, NO, NO2, and O2, with phosphorene, and their …
Structural defects modulate electronic and nanomechanical properties of 2D materials
Two-dimensional materials such as graphene and molybdenum disulfide are often subject
to out-of-plane deformation, but its influence on electronic and nanomechanical properties …
to out-of-plane deformation, but its influence on electronic and nanomechanical properties …
Deep-learning density functional perturbation theory
Calculating perturbation response properties of materials from first principles provides a vital
link between theory and experiment, but is bottlenecked by the high computational cost …
link between theory and experiment, but is bottlenecked by the high computational cost …
Functionalized germanene as a prototype of large-gap two-dimensional topological insulators
We propose two-dimensional (2D) topological insulators (TIs) in functionalized germanenes
(Ge X, X= H, F, Cl, Br, or I) using first-principles calculations. We find GeI is a 2D TI with a …
(Ge X, X= H, F, Cl, Br, or I) using first-principles calculations. We find GeI is a 2D TI with a …
Nonlinear Optical Responses of Janus MoSSe/MoS2 Heterobilayers Optimized by Stacking Order and Strain
Nonlinear optical responses in second harmonic generation (SHG) of van der Waals
heterobilayers, Janus MoSSe/MoS2, are theoretically optimized as a function of strain and …
heterobilayers, Janus MoSSe/MoS2, are theoretically optimized as a function of strain and …