相关论文: Nanoparticle networks as chemoselective sensing de…
The electronic structures of boron nitride nanotubes (BNNTs) doped by organic molecules are investigated with density functional theory. Electrophilic molecule introduces acceptor states in the wide gap of BNNT close to the valence band…
Designing molecular nanowires with high electrical conductance that facilitate efficient charge transport over long distances is highly desirable for future molecular-scale circuitry. However, most molecular wires act as tunnel barriers,…
A detailed computational analysis has been performed, considering copper atomic contacts that are exposed directly to water molecules, hydroxyl groups, and monatomic as well as molecular hydrogen and oxygen species. The optimized physical…
Biphenylene nanotubes (BPNNTs) represent a novel class of carbon-based nanomaterials, constructed by rolling a biphenylene network (BPN) monolayer into a one-dimensional tubular structure. In this study, the thermal transport properties of…
We study electronic transport properties of ferromagnetic nanoparticle arrays and nanodomain materials near the Curie temperature in the limit of weak coupling between the grains. We calculate the conductivity in the Ohmic and non-Ohmic…
This study presents the computational modeling and simulation of silver nanoparticle networks (NPNs), which, in the realm of neuromorphic computation, suggest to be a promising candidate for nontraditional computation methods. The modeling…
Preliminary evidence for the occurrence of high-Tc superconductivity in alkali-doped organic materials, such as potassium-doped p-terphenyl (KPT), were recently obtained by magnetic susceptibility measurements and by the opening of a large…
Transformers achieve state-of-the-art accuracy and robustness across many tasks, but an understanding of their inductive biases and how those biases differ from other neural network architectures remains elusive. In this work, we identify…
The one-dimensional confinement of quasiparticles in individual carbon nanotubes (CNTs) leads to extremely anisotropic electronic and optical properties. In a macroscopic ensemble of randomly oriented CNTs, this anisotropy disappears…
We report the electrical detection of captured gases through measurement of the tunneling characteristics of gas-mediated molecular junctions formed across nanogaps. The gas sensing nanogap device consists of a pair of vertically stacked…
Pt nanocontacts, like those formed in mechanically controlled break junctions, are shown to develop spontaneous local magnetic order. Our density functional calculations predict that a robust local magnetic order exists in the atoms…
The proper design and synthesis of molecular junctions for the purpose of establishing percolative networks of conductive nanoparticles represent an opportunity to develop more efficient thermally-conductive nanocomposites, with several…
The sharp increase in resistivity of copper interconnects at ultra-scaled dimensions threatens the continued miniaturization of integrated circuits. Topological semimetals (TSMs) with gapless surface states (Fermi arcs) provide conduction…
We have explored the possibility of using low dimensional phosphorene based nanoscale device for the detection of nitroaromatic based explosives. In this work, we have investigated the structural, electronic, adsorption, and quantum…
Thermoresponsive hydrogels have been studied intensively for creating smart drug carriers and controlled drug delivery. Understanding the drug release kinetics and corresponding transport mechanisms of nanoparticles (NPs) in a…
Electrical and structural characterization of nano-particles are very important steps to determine their potential applications in microelectronics. In this paper, we adress the crystallographic and electric transport properties of…
Crack-templated networks, metallic frameworks fabricated from crack patterns in sacrificial thin films, can exhibit high optical transmittance, high electric conductivity, and a host of other properties attractive for applications. Despite…
Using classical molecular dynamics simulation, we have studied the effect of edge-passivation by hydrogen (H-passivation) and isotope mixture (with random or supperlattice distributions) on the thermal conductivity of rectangular graphene…
We present a theoretical study of the electronic transport through Pt nanocontacts. We show that the analysis of the tunnelling regime requires a very careful treatment of the technical details. For instance, an insufficient size of the…
The observed correlation of oxygen vacancies and room temperature ferromagnetic ordering in Co doped ZnO1-o nanoparticles reported earlier (Naeem et al Nanotechnology 17, 2675-2680) has been further explored by transport and optical…