The main objective of the HotHybrids project is to develop a thoroughly groundbreaking class of hybrid materials composed of new double perovskite nanocrystals (DPNs), encapsulated by pioneering MOFs, possessing high activity and selectivity in CO2 phototransformation into valuable hydrocarbons (such as methanol). This hybrid system should combine unique properties of: (i) DPNs (composition, size and morphology dependent band structure) and (ii) MOFs (high stability in aqueous environment, tremendous surface area and porosity, high capacity of CO2 adsorption, catalytic activity and structure enabling charge mobility). This challenge of the HotHybrids project will be achieved by high risk/ high gain research towards:
(i) synthesis of novel DPNs with band gap < 3 eV and conduction band edge more negative than CO2 reduction potential (theoretically predicted but not synthesized yet);
(ii) synthesis of MOFs possessing high CO2 sorption capacity (especially containing Cu centre);
(iii) efficient coupling (chemical or physicochemical linking) of these components into cutting-edge hybrid system allowing for effective charge carriers transport and not blocking activity of any hybrid’s unit.
(iv) scaling-up of synthesis of selected DPNs-MOFs hybrid system.
To provide fundamental mechanistic insight on the rational design and engineering of new type of hybrids, as well as, on charge carrier transport in hybrids and mechanism of CO2 conversion I will utilize a combination of theoretical chemistry (available data on band structure modelling) with experimental investigations (chemical synthesis of unit components and hybrids followed by extended surface characterization and in-situ mechanistic study) with by investigation the following specific aims:
- Correlation of synthesis route with morphology, stability and activity of DPNs;