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The control of electromechanical responses within bonding regions is essential to face frontier challenges in nanotechnologies, such as molecular electronics and biotechnology. Here, we present Ib{eta}-nanocellulose as a potentially new orthotropic 2D piezoelectric crystal. The predicted in-layer piezoelectricity is originated on a sui-generis hydrogen bonds pattern. Upon this fact and by using a combination of ab-initio and ad-hoc models, we introduce a description of electrical profiles along chemical bonds. Such developments lead to obtain a rationale for modelling the extended piezoelectric effect originated within bond scales. The order of magnitude estimated for the 2D Ib{eta}-nanocellulose piezoelectric response, ~pm V-1, ranks this material at the level of currently used piezoelectric energy generators and new artificial 2D designs. Such finding would be crucial for developing alternative materials to drive emerging nanotechnologies.
Since the first realization of reversible charge doping in graphene via field-effect devices, it has become evident how the induction a gap could further enhance its potential for technological applications. Here we show that the gap opening due to a
The so-called interlayer-sliding ferroelectricity was recently proposed as an unconventional route to pursuit electric polarity in van der Waals multi-layers, which was already experimentally confirmed in WTe$_2$ bilayer even though it is metallic. V
Because of its compatibility with semiconductor-based technologies, hafnia (HfO$_{2}$) is todays most promising ferroelectric material for applications in electronics. Yet, knowledge on the ferroic and electromechanical response properties of this al
Cylindrical BaTiO3 nanorods embedded in (100)-oriented SrTiO3 epitaxial film in a brush-like configuration are investigated in the framework of the Ginzburg-Landau-Devonshire model. It is shown that strain compatibility at BaTiO3/SrTiO3 interfaces ke
The septuple-atomic-layer $mathrm{VSi_2P_4}$ with the same structure of experimentally synthesized $mathrm{MoSi_2N_4}$ is predicted to be a spin-gapless semiconductor (SGS). In this work, the biaxial strain is applied to tune electronic properties of