Nom i cognoms / Name and surname
Ranga Rohit Seemakurthi
Afiliació / Affiliation
ICIQ – Institut Català d’Investigació Química
Programa de finançament europeu en que s’enmarca aquest projecte? / European funding programme in which this project is being carried out?
EU support (FP7, H2020, etc.) other than MSCA
Títol del projecte / Project title
Study of materials for their use in electrochemical transformations aimed at improving the CO2 reduction reaction
Número del projecte / Project number
Breu explicació del projecte / Brief explanation of your project
The industrial revolution in the past two centuries has greatly increased the greenhouse gas concentrations in the atmosphere. Conversion of CO2 to multi-carbon products using electricity is a viable strategy to reduce the greenhouse gas effects and provide a way to produce high-value chemicals in a sustainable manner. Theoretical simulations including Density Functional Theory (DFT) and Ab-initio Molecular Dynamics (AIMD) hold great promise for exploring plausible reaction pathways towards various products in the electrochemical CO2 reduction (e-CO2R) mechanism. Therefore in this study we perform theoretical modelling studies to rationalize the experimental results for e-CO2R on Cu and Ni catalysts, which would further guide the catalytic synthetic routes to optimize selectivities to larger hydrocarbon products.
Enllaç a la pàgina web del projecte / Link to your project website
Repte en que s’emmarca aquest projecte / Challenge within the framework of this project
1. Adaptation to Climate Change: support at least 150 European regions and communities to become climate resilient by 2030