Workpackages

Workpackages Description

Preparation of sets of TiO₂ NPs with defined shape and size

Oxidic nanomaterials offered and still promise real, effective and efficient innovation in strategic sectors for mankind (energy production and use, sustainable development, environment protection and restoration, healthcare practices and systems). However, in particular for TiO₂ nanomaterials, a complete comprehension of the phenomena involved at molecular and atomic level is hindered by the wide heterogeneity of:

• types of TiO₂‐based nanoparticles (NPs) developed, each of them often exhibiting a rich dimensional and morphological variety,

• surface and/or interfacial molecular states,
• assembly/aggregation states of the NPs to form nanostructured and nano‐enabled systems,

• measurement conditions of the functional performances of these systems.

A set of NPs with controlled size and shape and high stability, obtained though reproducible synthetic methods, can be the basis of calibration standards and certified reference materials in nanometrology.

The objectives of WP1 will be to deliver DESIGN RULES for synthesis procedures based on

• hydrothermal (HT),

• sol-gel (SG)

• and laser ablation (LA) on liquid

routes capable to generate sets of TiO₂ nanoparticles with controlled size, shape and surface properties. The achievement of the target is based on the definition of proper values of synthesis parameters such as temperature, pH, feeder material, mineraliser, presence of shape controllers, size of droplets formed in the microemulsion, surfactant-precursor/solvent ratio.

Interactions with WP2 (to guide the experiments by state-of-the-art experimental design methods, and in the case of the HT preparation method, also by ad-hoc developed thermodynamic and multiscale models) and WP4 (to define the properties of NPs at nanometer and molecular level) in feedback loops are fundamental to achieved the pursued objectives.

The general objective is the evolution of TiO₂ NPs synthetic procedures form a “trial and error” approach to a knowledge basedc one for predictively engineered nanoparticles

Specific foreseen results are:

1. 1. design of HT synthetic procedure able to lead to low-dimensional dispersity bipyramidal TiO2 anatase NPs, with low truncation along c-axis, then mainly exposing (101) type facets, possibly with modularly size (main dimension along the c-axis from 40 to 100 nm)
2. 2. design of HT synthetic procedure able to lead to low-dimensional dispersity bipyramidal TiO2 anatase NPs, with modulated truncation along the c-axis
3. 3. design of HT synthetic procedure able to lead to low-dimensional dispersity prismatic TiO2 anatase NPs, mainly exposing (100) type facets
4. 4. design of HT synthetic procedure able to lead to low-dimensional dispersity controlled sets of prismatic TiO2 rutile NPs, mainly exposing (100) type facets
5. 5. design of SG synthetic procedure able to manufacture TiO2 nanoparticles with optimized size (<20 nm)
6. 6. design of SG synthetic procedure able to manufacture TiO2 nanoparticles with high specific surface area (>150 m2/g)
7. 7. design of LA synthetic procedure able to lead to low-dimensional dispersity (≤5%) anatase NPs, possibly with size 10-25 ± 0.5 nm