Journal
ACS CATALYSIS
Volume 9, Issue 8, Pages 7270-7284Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acscatal.9b01405
Keywords
CO2 electroreduction; single-site solid catalysts; electrocatalysis; density functional theory calculations; carbon-based materials
Categories
Funding
- CONACyT [282552]
- Carlsberg Foundation [CF15-0165]
- Cluster of excellence in Catalysis (UNISYSCAT - Deutsche ForschungsgemeinSchaft)
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The electrochemical CO2 reduction reaction (CO2RR) is a promising technology for converting waste CO2 into chemicals which could be used as feedstock for the chemical industry or as synthetic fuels. The technological viability of this process, however, is contingent on finding affordable and efficient catalysts. Recently, carbon-based solid state catalyst materials containing small amounts of nitrogen and transition metals (MNC) have emerged as a selective and cost-efficient alternative to noble metal catalysts for the direct electrochemical reduction of CO2 into CO. In addition, other products have also been reported, including formic acid and methane. In this Perspective, we offer a focused discussion of recent advances in the field of MNC catalysts for the CO2RR. The different factors which control the catalytic performance of MNC toward the CO2RR are discussed in this Perspective. We focus on density functional theory-guided experimental studies aiming to elucidate key experimental parameters and molecular descriptors that control the activity and selectivity of this class of materials. We close addressing the remaining challenges and take a look forward into future studies.
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