相关论文: Disassembling one-dimensional chains in molybdenum…

Quasi-one-dimensional (Q1D) systems, i.e., three- and two-dimensional (3D/2D) arrays composed of weakly coupled one-dimensional lattices of interacting quantum particles, exhibit rich and fascinating physics. They are studied across various…

The advent of graphene and other two-dimensional van der Waals materials, with their unique electrical, optical, and thermal properties, has resulted in tremendous progress for fundamental science. Recent developments suggest that taking…

We study the interplay of intrinsic-electronic and environmental factors on long-range charge transport across molecular chains with up to $N\sim 80$ monomers. We describe the molecular electronic structure of the chain with a tight-binding…

A polymer chain tethered to a surface may be compact or extended, adsorbed or desorbed, depending on interactions with the surface and the surrounding solvent. This leads to a rich phase diagram with a variety of transitions. To investigate…

Two-dimensional (2D) molybdenum disulfide (MoS2) has attracted significant attention because of its outstanding properties, suitable for application in several critical technologies like, solar cells, photocatalysis, lithium-ion batteries,…

Using molecular dynamics simulations we examine the dynamics of a family of model polymers with varying chain length and torsional potential barriers. We focus on features of the dynamics of polymers that are seen experimentally but absent…

The discovery of graphene and other two-dimensional (2-D) materials has stimulated a general interest in low-dimensional (low-D) materials. Whereas long time ago, Peierls and Landau's theoretical work demonstrated that any one- and…

It is indisputable that the search for high-temperature superconductivity has stimulated the work on low-dimensional organic conductors at its beginning. Since the discovery of true metal-like conduction in molecular compounds more than 50…

The understanding of the structural and thermal properties of membranes, low-dimensional flexible systems in a space of higher dimension, is pursued in many fields from string theory to chemistry and biology. The case of a two-dimensional…

Two-dimensional (2D) crystalline semiconductors hold promise for next-generation electronic devices due to its atomical thickness and consequent properties. Despite years of search, literature-reported 2D semiconductors commonly suffered…

The modification of electronic band structures and the subsequent tuning of electrical, optical, and thermal material properties is a central theme in the engineering and fundamental understanding of solid-state systems. In this scenario,…

Reducing the dimensionality of metal-halide perovskites enhances quantum and dielectric confinement, enabling tunable excitonic properties. In one dimension, the arrangement of metal-halide octahedra in chains with corner-, edge-, or…

We demonstrate that scattering of particles strongly interacting in three dimensions (3D) can be suppressed at low energies in a quasi-one-dimensional (1D) confinement. The underlying mechanism is the interference of the s- and p-wave…

Conformations of a single-component bottle-brush polymer with a fully flexible backbone under poor solvent conditions are studied by molecular-dynamics simulations, using a coarse-grained bead-spring model with side chains of up to N=40…

Fracture phenomena in soft materials span multiple length- and timescales. This poses a major challenge in computational modeling and predictive materials design. To pass quantitatively from molecular- to continuum scales, a precise…

Among two-dimensional (2D) materials, transition metal dichalcogenides (TMDs) stand out for their remarkable electronic, optical, and chemical properties. In addition to being variable bandgap semiconductor materials, the atomic thinness…

Two-dimensional (2D) transition metal dichalcogenides (TMDCs) have been the subject of sustained research interest due to their extraordinary electronic and optical properties. They also exhibit a wide range of structural phases because of…

Using a motif-network search scheme, we studied the tetrahedral structures of the dilithium/disodium transition metal orthosilicates A2MSiO4 with A = Li or Na and M = Mn, Fe or Co. In addition to finding all previously reported structures,…

A cascade of phase transitions from square to hexagonal lattice is studied in 2D system of particles interacting via core-softened potential. Due to the presence of two length-scales of repulsion, different local configurations with four,…

Two-dimensional (2D) transition metal dichalcogenides (TMDs), such as MoS2, have the potential to be widely used in electronic devices and sensors due to their high carrier mobility and tunable band structure. In 2D TMD devices, surface and…