Atomistisk modellering av avancerade material för CO2-minskning: En lovande metod för konvertering och lagring av solenergi

Tidsperiod: 2013-01-01 till 2015-12-31

Projektledare: Carlos Moyses Araujo, Carlos Moyses Graca Araujo

Finansiär: Vetenskapsrådet

Bidragstyp: Projektbidrag

Budget: 750 000 SEK

The Sun provides to the Earth in one hour an amount of energy that exceeds our energy consumption in one year. However, available technologies do not allow us to harvest even 0.02 % of such energy in a cost-efficient way. This would be more than sufficient to meet our energy demands. To change this scenario, novel breakthrough technologies for converting, storing and using solar energy must be developed. The conversion of solar energy into chemical fuels through photocatalytic water splitting and electrochemical CO2 reduction, appears as a promising alternative, but still a strong research agenda is needed for achieving the desirable goals. It is the aim of the present proposal to contribute in this field. Through a sophisticated combination of complementary computational materials science methods, a new methodology for modeling complex multi-electron transfer redox reactions will be developed. The fundamental understanding of the underlying mechanisms of the these reactions will be advanced, culminating on the design of a new integrated system for large-scale solar fuel production using abundant and environmentally friendly elements. The dissemination of the resulting theoretical insights from this systematic study will be highly beneficial for the guidance of experimental efforts in the field of solar energy harvesting in general and for the related Swedish infrastructure and economy in particular.