Related papers: Growth driven phase transitions in Zinc Oxide nano…
Topotactic transition is a structural phase change in a matrix crystal lattice mediated by the ordered loss/gain and rearrangement of atoms, leading to unusual coordination environments and metal atoms with rare valent states. As early as…
The present study describes a facile route of zinc oxide (ZnO) grows using the solution-dependent electrostatic spray deposition (ESD) method at temperatures ranging from 300 {\deg}C - 500 {\deg}C. In this work, zinc chloride (ZnCl2) was…
Observing non-classical nucleation pathways remains challenging in simulations of complex materials with technological interests. This is because it requires very accurate force fields that can capture the whole complexity of their…
Nanocomposite thin films of Zinc Oxide and Silicon were grown by co-evaporating powdered ZnO and Si. This resulted in nanocrystallites of ZnO being embedded in Silicon. The mismatch in crystal structures of constituent materials result in…
If metal surfaces are exposed to sufficiently oxygen-rich environments, oxides start to form. Important steps in this process are the dissociative adsorption of oxygen at the surface, the incorporation of O atoms into the surface, the…
Despite numerous efforts from numerical approaches to complement experimental measurements, several fundamental challenges have still hindered one's ability to truly provide an atomistic picture of the nucleation process in nanocrystals.…
Nanoparticles have become increasingly interesting for a wide range of applications, because in principle it is possible to tailor their properties by controlling size, shape and composition. One of these applications is heterogeneous…
ZnO is a promising material for the fabrication of light emitting devices. One approach to achieve this goal is to use ZnO nanorods because of their expected high crystalline and optical quality. Catalyst free growth of nanorods by…
The interface between hexagonal ZnO films and cubic MgO (001) substrates, fabricated through molecular beam epitaxy, are thoroughly investigated. X-ray diffraction and (scanning) transmission electron microscopy reveal that, at the…
This paper deals with the investigations on the nucleation and growth of ZnO nanostructures in a catalyst free synthesis. The ZnO nanostructures have been formed by evaporation of Zn (99.99%) in O_2 and Ar atmosphere in single zone furnace…
Ultrathin semiconductor nanocrystals (NCs) with at least one dimension below their exciton Bohr radius receive a rapidly increasing attention due to their unique physicochemical properties such as strong quantum confinement, large…
V2O3 nanocrystals can be synthesized through hydrothermal reduction of VO(OH)2 using hydrazine as a reducing agent. Addition of different ligands to the reaction produces nanoparticles, nanorods and nanoplatelets of different sizes. Small…
Dependence of structural parameters on the size of nanoparticles is a topic of general interest where the effect of shape is often neglected. We report a comprehensive study on size dependent structural parameters of ZnO nanostructures (NS)…
Barium zirconate BaZrO3 is one of few perovskites that is claimed to retain an average cubic structure down to 0K at ambient pressure, while being energetically very close to a tetragonal phase obtained by condensation of a soft phonon mode…
Garnet-type Li7La3Zr2O12 (LLZO) is a solid electrolyte material with a low-conductivity tetragonal and a high-conductivity cubic phase. Using density-functional theory and variable cell shape molecular dynamics simulations, we show that the…
Kinetic Monte Carlo approach is developed to study aspects of sintering of dispersed nanoparticles of bimodal size distributions. We explore mechanisms of neck development when sintering is initiated at elevated temperatures for nanosize…
The rich phase diagram of bulk Pr$_{1-x}$Ca$_{x}$MnO$_3$ resulting in a high tunability of physical properties gave rise to various studies related to fundamental research as well as prospective applications of the material. Importantly, as…
The peculiar properties of zinc oxide (ZnO) make this material interesting for very different applications like light emitting diodes, lasers, and piezoelectric transducers. Most of these applications are based on epitaxial ZnO layers grown…
We present Al2O3-ZnAl2O4-ZnO nanostructure, which could be a prominent candidate for optoelectronics, mechanical and sensing applications. While ZnO and ZnAl2O4 composites are mostly synthesized by sol-gel technique, we propose a…
Molecular dynamics (MD) is employed to investigate the plastic deformation mechanisms of single crystalline yttria-stabilized tetragonal zirconia (YSTZ) nanopillars under uniaxial compression. Simulation results show that the nanoscale…