The catalytic reduction of CO2/CO is {key|important|crucial|essential} to {reducing|decreasing|lowering|minimizing} carbonfootprint and {producing|creating|generating|making} the chemical {building|developing|creating|constructing} blocksneeded for society. {In this|Within this} {work|function|perform|operate}, we performed a theoreticalinvestigation {of the|from the|in the|on the|with the|of your} {differences|variations} and similarities of theCO2/CO catalytic reduction reactions {in the|within the|inside the} gas, aqueoussolution, and aprotic {solution|answer|remedy|resolution|option}. We demonstrate that bindingenergy serves as {a good|a great|an excellent|a superb|a fantastic|a very good} descriptor for gaseous and aqueous phases and {allows|enables|permits|makes it possible for} categorizing catalysts by reduction {products|goods|items|merchandise|solutions}. The CO vs. O and CO vs. H binding energies for these phases {gives|provides|offers} a {convenient|handy|hassle-free|practical|easy} mapping of catalysts {regarding|concerning|relating to|with regards to} their {main|primary|principal|major|key|most important} {product|item|solution} for the CO2/CO reduction reactions. {However|Nevertheless|Nonetheless|Even so|On the other hand|Having said that}, for the aprotic phase, descriptors alone are insufficient for the mapping. We show that a microkinetic model ({including|such as|which includes|like} the CO and H binding energies) {allows|enables|permits|makes it possible for} spanning and interpreting the reaction space for the aprotic phase. 2422999-74-2 site 1256821-77-8 Data Sheet PMID:24957087
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