Journal
FRONTIERS IN ENERGY RESEARCH
Volume 9, Issue -, Pages -Publisher
FRONTIERS MEDIA SA
DOI: 10.3389/fenrg.2021.653527
Keywords
molten carbonate; surface species; Raman spectroscopy; DFT; alkaline earth
Categories
Funding
- National Science Foundation [1924095]
- ExxonMobil
- Directorate For Engineering
- Div Of Chem, Bioeng, Env, & Transp Sys [1924095] Funding Source: National Science Foundation
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This study identified the major active species on the surface of (Li-Na)2CO3 eutectic using Raman spectroscopy and theoretical calculations, showing that the presence of different gases and alkaline earth additives can affect the formation of active species.
Here we report the results of a study on active surface species of a pristine and modified (Li-Na)(2)CO3 eutectic using in situ Raman spectroscopy technique. The effects of gas compositions, temperature, time, and alkaline earth have been systematically studied. The species of CO42-, HCO4-, and C2O52- are identified as the three major active species on the surface of (Li-Na)(2)CO3 eutectic by a combined Raman spectroscopy and theoretical density functional theory calculations. The results further reveal that CO42-, HCO4-, and C2O52- are preferably formed in the presence of O-2, H2O, and high CO2 concentration. With the addition of Ba to the pristine (Li-Na)(2)CO3 eutectic, the Raman CO42-/HCO4- shifts become more pronounced.
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