2020
DOI: 10.1002/cphc.202000006
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Metal‐free Catalyst B2S Sheet for Effective CO2 Electrochemical Reduction to CH3OH

Abstract: Considering the problems of high costs, low catalytic activity and selectivity in the metal-based catalysts for CO 2 electroreduction, we apply boron-containing metal-free B 2 S sheet as an alternative to the traditional metal-based catalysts. Reaction energy calculations identify the preferred "Formate" pathway for CO 2 conversion to CH 3 OH on B 2 S, in which the thermodynamic energy barrier obtained by using the Computational Hydrogen Electrode model is 0.57 eV, and the kinetic energy barrier obtained by se… Show more

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Cited by 6 publications
(3 citation statements)
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“…50,[52][53][54][55][56] It is worth mentioning that the energy barriers for both pathways (*CH 2 OH and *CH 3 O) to produce CH 3 OH are high, making CH 3 OH generation rather difficult.2.3. Generation of C2 products C 2 products from the CO 2 RR include C 2 H 4 , C 2 H 5 OH, C 2 H 6 , CH 3 COOH, C 2 H 6 O 2 , etc.…”
mentioning
confidence: 99%
“…50,[52][53][54][55][56] It is worth mentioning that the energy barriers for both pathways (*CH 2 OH and *CH 3 O) to produce CH 3 OH are high, making CH 3 OH generation rather difficult.2.3. Generation of C2 products C 2 products from the CO 2 RR include C 2 H 4 , C 2 H 5 OH, C 2 H 6 , CH 3 COOH, C 2 H 6 O 2 , etc.…”
mentioning
confidence: 99%
“…The Pd-MXene electrode had higher CO 2 RR and stability than any other electrode, making it a superior electrode for producing CH 3 OH under optimal conditions. Accordingly, Pd-MXene electrodes are highly competitive with other electrode materials that have been recently studied in terms of their ability to reduce CO 2 into selectively produced CH 3 OH, which includes the following materials: Cu 2−x Se(y) nanocatalysts, Ru polypyridyl carbene catalyst on N-doped porous carbon, transition metals supported on g-C 3 N 4 , transition metal oxides, boron phosphide nanoparticles, hierarchical Pd/SnO 2 nanosheets, Cu/Ti 3 C 2 Tx, metal-free B 2 S sheet, defectsrich Ni 3 S 2 -CNFs nanoheterostructures, etc., [27,30,[35][36][37][38][39][40][41]. The Pd-MXene was shown to be an effective candidate for reducing flue gases into fuels in order to control climate change.…”
Section: Methodsmentioning
confidence: 99%
“…It was shown that negatively charged borophene could promote CO 2 molecule capture ( Figure 6F ). Sun et al adopted the metal-free B 2 S catalyst to convert CO 2 into CH 3 OH by DFT calculations ( Tang et al, 2020 ). The thermodynamic and kinetic energy barriers were −0.12 eV and 0.43 eV, respectively.…”
Section: Applications Of Sacs For Co 2 Rrmentioning
confidence: 99%