Sentence examples for by the electronic structure from inspiring English sources

which are determined by the electronic structure and the electron scattering mechanisms of the material.

Therefore, the activation upon adsorption has been justified by the electronic structure of the molecule, its electron affinity as well as the ability of the site to π back donation.

There is a small red-shift compared with the SPR band of typical Au NPs (~530 nm), which could be caused by the electronic structure modification of Au NPs due to the electron transfer from TiO2 to Au [39, 40, 41, 42, 43].

The support effects have a remarkable influence on the adsorption characteristics of four types of toxic gases which is determined by the electronic structure of graphene-based support, and the electronic structure can be characterized by Fermi softness of catalysts.

The analytic expressions of EMD are evaluated over a fine grid and the accuracy of the code is verified by a normalization check and a numerical kinetic energy evaluation which is compared with the analytic kinetic energy given by the electronic structure package.

The electronic structure of doped metal is strongly affected by the electronic structure of host lattice.

By means of modeling of the atomic structure and by calculating the electronic structure it has been established that the energetic expediency of formation of the ordered phase of nonstoichiometric Fe4 уAlуCx (y = 0.5 ÷ 1; x = 0.5 ÷ 0.66) compares to the stoichiometric Fe3AlC phase.

These unusual properties may be understood by analyzing the electronic structure.

Density functional theory calculations were done by employing the electronic structure code Quantum Espresso 5.2.1 (ref. 41) in combination with the PBE exchange-correlation functional28 and the PAW method.

By interfacing the electronic structure methods that I developed with the geomeTRIC geometry optimizer and G-AIMS non-adiabatic dynamics framework, a complete toolbox for understanding photochemistry is provided.

Optoelectronic properties of glasses can be engineered by understanding the electronic structure and the symmetry of electronic states across the band gap where the chemical bonding is the origin of such electronic structure.