A step forward towards the structural characterization of Na2Ti2O5·H2O nanotubes and their correlation with optical and electric transport properties

Effect of Adsorbed Water and Temperature on the Universal Power Law Behavior of Lepidocrocite-Type Alkali Titanate Ceramics

“…This is also evident in other electrical properties such as the imaginary part of the complex impedance − Z ″(ω), as shown for K 0.8 Zn 0.4 Ti 1.6 O 4 in Figure S6. A similar anomaly of − Z ″(ω) is also shown very recently (though not explicitly discussed) by Esteves et al (Figure 9d in ref ) in the layered Na 2 Ti 2 O 5 ·H 2 O. Altogether, the anomalies of frequency-dependent electrical properties when sorted temperature-wise are evident and could be generally common among layered alkali metal oxides.…”

“…The literature provides several examples of this oftentimes neglected contribution of surface-adsorbed water to the observed electrical properties. These include the U (or V ) shape of the otherwise linear Arrhenius plots, − the thermal history-dependent activation energy, the anomaly in a temperature-dependent imaginary part of a complex impedance/AC conductivity, − and the dielectric permittivity/loss hysteresis during a temperature scan. , Apparently, this complication is ubiquitous in several materials, regardless of their physical form. Hence, it is preferable that we recognize and develop a simple way to gain insights into this behavior.…”

Hydrogen Titanate H2TiO3 Nanowires Derived from K2TiO3 as Potential Materials for Solar Cell Applications: A Theoretical Study

“…This methodology has been successfully applied in previous reports to a series of TiO 2 polymorphs, H-Titanates, Na-Titanates and Li-Titanates. [6,18] The k-space grid sampling used was 1x1x16 and a cut-off energy for the plane wave expansion of 499 eV were selected in all the calculations. For the simulation, a vacuum space of 15 Å was selected in concordance with early works in the nonperiodic directions in order to prevent wire-wire interaction, this vacuum was successfully used in previous works.…”

“…As a consequence of this correction, the band gap width is allowed to take values closer to the experimental one without the inclusion of other highly demanding computational approaches. This methodology has been successfully applied in previous reports to a series of TiO 2 polymorphs, H‐Titanates, Na‐Titanates and Li‐Titanates [6,18] …”

“…As far as we are aware, no more studies were carried on this TiO 5 polyhedral nanowire system, that's the reason why a computational model through Density Functional Theory (DFT) [5] is proposed for exploring and understanding the structural, mechanical, electronic and optical properties of this one‐dimensional material. This model is an interesting tool for understanding the fundamental aspects of the TiO 5 arrangement and eventually could be transferred to other titanates systems, especially the TiO 5 polyhedron systems such as Na 2 Ti 2 O 5 .H 2 O [6] among others, which could have interesting properties for energy applications.…”