相关论文: Highly Stretchable MoS$_2$ Kirigami
Kirigami offers unique opportunities for guided morphing by leveraging the geometry of the cuts. This work presents inflatable kirigami crawlers created by introducing cut patterns into heat-sealable textiles to achieve locomotion upon…
Origami-inspired structures have a rich design space, offering new opportunities for the development of deployable systems that undergo large and complex yet predictable shape transformations. There has been growing interest in such…
Structural, vibrational and thermal properties of densified sodium silicate (NS2) are investigated with classical molecular dynamics simulations of the glass and the liquid state. A systematic investigation of the glass structure with…
This work describes topological magnon transport in zigzag CrI$_3$ nanoribbons (ZNR) in presence of edge strain. Exchange coupling terms under strain are obtained from first-principles calculations, and the topological properties are…
The realization of novel heterostructures arising from the combination of nanomaterials is an effective way to modify their physicochemical and electrocatalytic properties, giving them enhanced characteristics stemming from their individual…
Orthorhombic arsenene was recently predicted as an indirect bandgap semiconductor. Here, we demonstrate that nanostructuring arsenene into nanoribbons can successfully transform the bandgap to be direct. It is found that direct bandgaps…
An efficient approach to the evaluation of effective elastic properties of carbon-carbon plain weave textile composites using the Mori-Tanaka method is presented. The method proves its potential even if applied to real material systems with…
We introduce a new class of thin flexible structures that morph from a flat shape into prescribed 3D shapes without an external stimulus such as mechanical loads or heat. To achieve control over the target shape, two different concepts are…
Resistive memory based on 2D WS2, MoS2, and h-BN materials has been studied, including experiments and simulations. The influences with different active layer thicknesses have been discussed, including experiments and simulations. The…
Armchair graphene nanoribbons with different proportions of edge oxygen atoms are investigated by using crystal orbital method based on density functional theory. All the nanoribbons are energetically favorable, although buckled edges are…
We studied the structure and mechanical properties of DNA i-motif nanowires by means of molecular dynamics computer simulations. We built up to 230 nm long nanowires, based on a repeated TC5 sequence from crystallographic data, fully…
Two-dimensional (2D) materials naturally form moir\'{e} patterns with other crystalline layers, such as other 2D material or the surface of a substrate. These patterns add a nanoscale characteristic length in the form of a superlattice: the…
In this work, we have designed and simulated new thermoelectric generator based on monolayer and few-layer MoS2 nanoribbons. The proposed thermoelectric generator is composed of thermocouples made of both n-type and p-type MoS2 nanoribbon…
We show that the two molecular mechanics models, the stick-spiral and the beam models, predict considerably different mechanical properties of materials based on energy equivalence. The difference between the two models is independent of…
Recent works devoted to the synthesis of artificial molecular systems with quasi-fractal geometry provide new opportunities for the experimental study of electronic properties in atomic systems of fractional dimension. There has been a…
Results of classical force field geometry optimizations for twisted graphene nanoribbons with a number of twists $N_t$ varying from 0 to 7 (the case $N_t$=1 corresponds to a half-twist M\"obius nanoribbon) are presented in this work. Their…
We study the three-dimensional equilibrium shape of a shell formed by a deployed accordion-like origami, made from an elastic sheet decorated by a series of parallel creases crossed by a central longitudinal crease. Surprisingly, while the…
Density functional calculations of hybrids consisting of a single wall carbon nanotube and a graphene nanoribbon have been performed. We consider the dependence of the structural, electronic and magnetic properties of the hybrids on the…
Heterostructures composed of dissimilar two-dimensional nanomaterials can have nontrivial physical and mechanical properties promising for many applications. Interestingly, in some cases, it is possible to create heterostructures composed…
The hybrid graphene - hexagonal boron nitride (G-hBN) systems offer new routes in the design of nanoscale electronic devices. Using {\it ab initio} density functional theory calculations we investigate the dynamics of zig-zag nanoribbons a…