Atomistic modeling of crystal-to-amorphous transition and associated kinetics in the Ni-Nb system by molecular dynamics simulations

Article Abstract:

Ni-Nb system is constructed under the Finnis-Sinclair formalism and the constructed potential is capable of revealing the atomistic mechanism of crystal-to-amorphous transition and associated kinetics. On the basis of the constructed Ni-Nb potential, molecular dynamics simulations using sandwich models reveal an asymmetric growth behavior of the amorphous interlayer during solid-state amorphization.

Science & research, Nickel Compounds, Research, Molecular dynamics

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Photoelectrochemical behavior of Nb-doped TiO(sub 2) electrodes

Article Abstract:

The photoelectrochemical behavior of degenerate Nb-doped TiO(sub 2) electrodes prepared by pulsed laser deposition on LaAlO(sub 3)(LAO) and SrTiO(sub 3)(STO) was examined to find that increase in the concentration causes a significant decay of titanic photoactivity. The reason for such behavior may be a Burstein-Moss effect, which leads to a blue shift of the spectral limit of photoactivity.

Methods, Optical properties, Titanium dioxide, Electrodes, Semiconductor doping

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Raman spectroscopy of Na2Nb2O6.H2O and Na2Nb(sub 2-x)M(sub x)O(sub 6-x)(OH)(sub x).H2O (M = Ti, Hf) ion exchangers

Article Abstract:

The results of Raman study of Na2Nb1.8-Ti0.2O5.8(OH)(sub 0.2).H2O (SOMS-Ti), Na2Nb1.9Hf0.1O5.9(OH)(sub 0.1).H2O (SOMS-Hf) and their parent compound Na2Nb2O6.H2O (SOMS) between 24 degree C and 600 degree C is presented. The temperature-dependent Raman discussion of SOMS, SOMTi, and SOMS-Hf provide evidence that the structure of these materials is only weakly affected by doping.

Sodium, Sodium & Sodium Compounds, Usage, Sodium (Chemical element), Raman spectroscopy

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