Uniaxial Strain-Induced Stacking Order Change in Trilayer Graphene.

The layer stacking order in two-dimensional heterostructures, like graphene, affects their physical properties and potential applications. Trilayer graphene, specifically ABC-trilayer graphene, has captured significant interest due to its potential for correlated electronic states. However, achieving a stable ABC arrangement is challenging due to its lower thermodynamic stability compared to the more stable ABA stacking.

Trinuclear Pd Complexes with a C -Symmetric Triethynylbenzene-Based Tris-NHC Ligand: Catalytic Benefits.

A new C -symmetric tris-imidazolium tribromide salt 3, featuring 1,3,5-substituted triethynylbenzene, was used for the preparation of a trinuclear Pd pyridine-enhanced precatalyst preparation stabilization and initiation-type (PEPPSI) complex by triple C2 deprotonation followed by the addition of PdCl . Trinuclear Pd complex possessing a combination of NHC and PPh ligands has also been synthesized. The corresponding mononuclear palladium(II) complexes have also been synthesized for the comparison purpose.

An Atomistic Insight into Moiré Reconstruction in Twisted Bilayer Graphene beyond the Magic Angle.

Twisted bilayer graphene exhibits electronic properties strongly correlated with the size and arrangement of moiré patterns. While rigid rotation of the two graphene layers results in a moiré interference pattern, local rearrangements of atoms due to interlayer van der Waals interactions result in atomic reconstruction within the moiré cells. Manipulating these patterns by controlling the twist angle and externally applied strain provides a promising route to tuning their properties.

Investigation of the Associations between a Nanomaterial's Microrheology and Toxicology.

With the advent of Nanotechnology, the use of nanomaterials in consumer products is increasing on a daily basis, due to which a deep understanding and proper investigation regarding their safety and risk assessment should be a major priority. To date, there is no investigation regarding the microrheological properties of nanomaterials (NMs) in biological media. In our study, we utilized models to select the suitable NMs based on their physicochemical properties such as solubility and lipophilicity.

Engineering the Band Structures of Zigzag Blue Phosphorene and Arsenene Nanoribbons by Incorporating Edge Corrugations: A First Principles Exploration.

Using first principles calculations, we have presented a short study on modulation of band structures and electronic properties of zigzag blue phosphorene (ZbPNR) and arsenene nanoribbons (ZANR) by etching the edges of NRs. We have taken the width of both NRs as = 8 and corrugated the edges in a cosine-like manner. Optimizing every structure and further investigating their stabilities, it was seen that both the etched NRs are energetically feasible.

Hydrogen-induced tunable electronic and optical properties of a two-dimensional penta-PtN monolayer.

Most known two-dimensional materials lack a suitable wide-bandgap, and hydrogenation can be effectively utilized to tune the bandgap of some 2D materials. By employing density functional theory calculations, we investigate the effect of hydrogenation on the electronic and optical properties of a recently reported anisotropic penta-Pt2N4 monolayer. The results show that penta-Pt2N4 is thermally and mechanically stable after hydrogenation and also possesses anisotropic Young's modulus and Poisson's ratio.