10 November 2022

We are happy to inform you that a new publication acknowledging NanoInformatix has just been published!

The article is entitled “One Step before Synthesis: Structure–Property–Condition Relationship Models to Sustainable Design of Efficient TiO2-Based Multicomponent Nanomaterials” and it has been published on the International Journal of Molecular Sciences. A big thanks to the authors,  Alicja Mikolajczyk and Dawid Falkowski, for this great achievement.

Read below the article’s abstract!


To control the photocatalytic activity, it is essential to consider several parameters affecting the structure of ordered multicomponent TiO2-based photocatalytic nanotubes. The lack of systematic knowledge about the relationship between structure, property, and preparation parameters may be provided by applying a machine learning (ML) methodology and predictive models based on the quantitative structure-property-condition relationship (QSPCR). In the present study, for the first time, the quantitative mapping of preparation parameters, morphology, and photocatalytic activity of 136 TiO2 NTs doped with metal and non-metal nanoparticles synthesized with the one-step anodization method has been investigated via linear and nonlinear ML methods. Moreover, the developed QSPCR model, for the first time, provides systematic knowledge supporting the design of effective TiO2-based nanotubes by proper structure manipulation. The proposed computer-aided methodology reduces cost and speeds up the process (optimize) of efficient photocatalysts’ design at the earliest possible stage (before synthesis) in line with the sustainability-by-design strategy.