Dresden 2020 – wissenschaftliches Programm
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PLV IV: Plenarvortrag
Montag, 16. März 2020, 14:00–14:45, HSZ 02
Operando Nanocatalysis — •Beatriz Roldan Cuenya — Fritz Haber Institute of the Max Planck Society
Tailoring the chemical reactivity of nanomaterials at the atomic level is one of the most important challenges in catalysis research. However, in order to achieve this elusive goal, we must first obtain fundamental understanding of the structural and chemical properties of these complex systems. In addition, the dynamic nature of the nanoparticle (NP) catalysts and their response to the environment must be taken into consideration. Despite the significant progress in experimental tools for NP characterization and theoretical NP modeling approaches, understanding the relation between intriguing properties of metal NPs and their structure and surface composition is still a challenging task. The intrinsic complexity and heterogeneity of NPs, their interactions with the support, ligands and adsorbates, strong static disorder and anharmonic effects at NP surface, or in situ transformations of their structure pose significant difficulties both for theoretical modeling and for the interpretation of experimental data. I will address some of these issues by bridging theoretical modeling and experiments via machine learning methods. Experimentally I will take advantage of a variety of cutting-edge complementary experimental methods (EC-AFM, EC-TEM, TPD, NAP-XPS, XAFS, MS/GC) to gain new insights into the thermal hydrogenation and electrocatalytic reduction of the green-house gas CO2 over supported metal NPs. Our results will open up new routes for the reutilization of CO2 through its direct conversion into valuable chemicals and fuels such as ethylene, methanol and ethanol.