Sentence examples for electron effects of from inspiring English sources
Quantum-dot cellular automata (QCA) are promising models in nanotechnology based on the single electron effects of quantum dots and molecules.
On the other hand, by doping of B atoms the CSI values at the site of Al21 of AII model increase significantly from those of pristine models due to donor electron effects of B doped.
Nevertheless, when CO molecule is adsorbed on the Al site of BAs doped AlNNTs (model AIV), the NBO charge of CO molecule has a negative value due to donor electron effects of BAs doped on nanotube.
The results indicate that when CO molecule is adsorbed on the Al site of BAs doped AlNNTs (model AIV), the NBO charge of CO molecule becomes negative due to donor electron effects of nanotube and BAs doped.
The function of ceria for improving the catalytic performance has mainly been attributed to the electron effect of Ce-ions as reported in literatures [30].
Comparison of the results indicates that with adsorption of N2O gas, the CSI values of nanotube increase significantly from unabsorbed models due to the donor electron effect of N2O gas.
It is notable that the electrophilicity index of 1Ca- (4.79 eV) and 2Ca (4.81 eV -doped BeV -dopedmore than pristine (2.23 eV) due to the donor electron effect of dopant atoms.
Comparing results reveal that with doping 1Ca and 2Ca the shielding parameters values for O atoms increase significantly from original values due to donor electron effect of Ca doped.
Therefore in the A-a to B-e models, due to donor electron effect of the BN nanosheet, a low charge transfer occurs between the nanosheet and the NH2NO2 molecule.
In addition, from Table 2, it can be inferred that with 1Ca and 2Ca atom doping, the NBO charge on the oxygen atoms decreases significantly due to the donor electron effect of the dopant atom, and so the Be–O bonds are highly polarized and are responsible for the large shift of charge from metal to its neighbors.
Semilocal exchange-correlation functionals are frequently used to accurately describe the complex many-electron effects of two-dimensional quantum systems.
