Laboratory operando technique of metal nanoparticles diagnostics based on the infrared spectroscopy of adsorbed molecules

From 01.10.2020 till 01.10.2022
Grant holder: Alexander Soldatov
Responsible: Andrei Tereshchenko

This project is aimed to develop a laboratory technique for diagnosing the size and morphology of metal nanoparticles during their synthesis. Supported metal nanoparticles are highly active catalysts in a number of industrially significant reduction and oxidation reactions, however, their catalytic properties largely depend on material of support, dispersion and shape, as well as the surface morphology of the nanoparticles. Existing diagnostic techniques have several disadvantages, which limits their use in the diagnosis of nanocatalysts directly during their synthesis. In particular, well-known x-ray techniques require the use of large-scale and expensive synchrotron sources. Most methods in general can only be successfully applied to already grown nanoparticles. Thus, there is a vast field for research and development of approaches for laboratory in situ diagnostics of supported metal nanocatalysts and monitoring the kinetics of nanoparticle growth. To achieve this goal, infrared spectroscopy of adsorbed molecular probes will be used. Using computer DFT modeling, a database of theoretical infrared spectra of probing molecules adsorbed on nanoparticles of different composition, size and shape will be compiled, and their comparison with experimental spectra of both commercial particles of known shapes and sizes and grown independently in our lab. To evaluate the growth kinetics of nanoparticles using machine learning methods, an algorithm will be developed that allows one to determine their size and morphology from the spectra measured during their growth.