Related papers: Size Dependence of Lattice Parameter and Electroni…
Size can widely affect the surface chemical activities (SCAs) of nanomaterials in chemisorption, catalysis, surface effects, etc., but the underlying electronic nature has long remained mysterious. We report a general electronic principle…
Nanowire-based plasmonic lasers are now established as nano-sources of coherent radiation, appearing as suitable candidates for integration into next-generation nanophotonic circuitry. However, compared to their photonic counterparts, their…
The finite size and surface roughness effects on the magnetization of NiO nanoparticles is investigated. A large magnetic moment arises for an antiferromagnetic nanoparticle due to these effects. The magnetic moment without the surface…
Developing characterization techniques and analysis methods adapted to the investigation of nanoparticles (NPs) is of fundamental importance considering the role of these materials in many fields of research. The study of actinide based…
Changes in lattice structure across sub-regions of protein crystals are challenging to assess when relying on whole crystal measurements. Because of this difficulty, macromolecular structure determination from protein micro and nano…
The atomistic structure of metallic glasses is closely related to properties such as strength and ductility. Here, Ni1-xBx metallic glass nanoparticles of two different sizes are compressed under quasi-hydrostatic high-pressure conditions…
Computer modeling of formation of the one-dimensional and three-dimensional monatomic nanostructures by the method of atom-atom potentials was done. The arrangement of atoms was defined on the basis of the energy minimum. Our calculations…
Improvement in magnetic and electrical properties of multiferroic BiFeO$_3$ in conjunction with their dependence on particle size is crucial due to its potential applications in multifunctional miniaturized devices. In this investigation,…
The geometrical and electronic structure properties of $<100>$ and $<110>$ silicon nanowires in the absence of surface passivation are studied by means of density-functional calculations. As we have shown in a recent publication [R. Rurali…
A theoretical study of the electronic properties of nanodisks and nanocones is presented within the framework of a tight-binding scheme. The electronic densities of states and absorption coefficients are calculated for such structures with…
Using Landau-Ginzburg-Devonshire theory and effective medium approximation, we analytically calculate typical dependences of the pyroelectric and electrocaloric coefficients on external electric field, temperature and radius for spherical…
Magnetic properties with 3 different sizes of Ni nanochains, synthesized by a technique of wet chemical solution, have been investigated experimentally. The sample sizes are 50 nm, 75 nm, and 150 nm with a typical length of a few microns.…
The parameters influencing the band gap of tin sulphide thin nano-crystalline films have been investigated. Both grain size and lattice parameters are known to influence the band gap. The present study initially investigates each…
Density functional theory and molecular dynamics simulations have been used to optimize the structure of nanowires of SiO2. The starting structures were based on b-cristobalite, orthotridymite, b-tridymite, and rutile crystals. The analysis…
The atomic structure and physical properties of few-layered <111> oriented diamond nanocrystals (diamanes), covered by hydrogen atoms from both sides are studied using electronic band structure calculations. It was shown that energy…
Nanowires play a pivotal role across a spectrum of disciplines such as nanoelectromechanical systems, nanoelectronics, and energy applications. As nanowires continue to diminish in dimensions, their mechanical characteristics are…
Precise experimental setups for detection of variation of fundamental constants, scalar dark matter, or gravitational waves, such as laser interferometers, optical cavities and resonant-mass detectors, are directly linked to measuring…
Nanoparticles (NPs) which combine several magnetic phases offer wide perspectives for cutting edge applications because of the high modularity of their magnetic properties. Besides the addition of the magnetic characteristics intrinsic to…
Extending the recently-developed bond-order-length-strength (BOLS) correlation mechanism [Sun CQ, Prog Solid State Chem 2007, 35, 1-159] to the pressure domain has led to atomistic insight into the phase stability of nanostructures under…
Intrinsic and extrinsic disorder from lattice imperfections, substrate and environment has a strong effect on the local electronic structure and hence the optical properties of atomically thin transition metal dichalcogenides that are…