Development of an open-source database of catalysts and electrolytes for the electrochemical conversion of CO2
keywords CATALISYS, CATALYSIS , GREEN CHEMISTRY, SURFACE CHEMISTRY, CO2 CONVERSION, DATA PROCESSING, DATA VISUALIZATION, DATABASE, ELECTROCATALYSIS, ELECTROCHEMISTRY, ENGINEERING, MATERIAL SCIENCE, MODELING AND SIMULATION, NUMERICAL MODELLING, PHYSICAL CHEMISTRY
Reference persons SIMELYS PRIS HERNANDEZ RIBULLEN
External reference persons Federico Dattila
Thesis type APPLIED RESEARCH, DATA PROCESSING, INNOVATIVE, MODELING
Description Carbon dioxide is among the main greenhouse gases and its high concentrations in the atmosphere contribute to climate change. The electrochemical reduction of CO2 allows to convert carbon dioxide, water and renewable energy into those chemical compounds that today are derived from fossil sources. The development of this technology is currently limited by the lack of effective experimental data sharing platforms. In this research work, the thesis student will be called to support the development of an open-source database that allows the upload and sharing of experimental data on catalysts and electrolytes used for the electrochemical conversion of CO2. This platform may initially be limited to trial versions on GitHub, but during the thesis it will be subject to continuous upgrades to align it with already established systems (ioChem-BD, Zenodo, etc.). The database must provide the possibility for users to upload their own experimental data (characterization of materials, electrochemical activity, selectivity) which will be automatically converted into interactive graphs by special scripts in Python / Java to ensure a fast dissemination of the data. This thesis will include a collaboration with the Institute for Chemical Research of Catalonia (ICIQ) located in Tarragona, Spain, creators of the ioChem-BD database.
Given the high amount of data analyzed during the study, the thesis student will acquire skills in data analysis and data representation through Blender and Office package.
Writing of the thesis in English is required.
Required skills An advanced knowledge of mass balances, chemical processes and transport phenomena is required.
A basic understanding of electrochemistry is required.
A basic understanding of solid-state physics is helpful
Notes Thesis in collaboration with the Institute for Chemical Research of Catalonia (ICIQ) located in Tarragona, Spain.
Deadline 05/04/2024 PROPONI LA TUA CANDIDATURA