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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Understanding Selectivity for the Electrochemical Reduction of Carbon Dioxide to Formic Acid and Carbon Monoxide on Metal Electrodes

Increases in energy demand and in chemical production, together with the rise in CO 2 levels in the atmosphere, motivate the development of renewable energy sources. Electrochemical CO 2 reduction to fuels and chemicals is an appealing alternative to traditional pathways to fuels and chemicals due to its intrinsic ability to couple to solar and wind energy sources. Formate (HCOO – ) is a key chemical for many industries; however, greater understanding is needed regarding the mechanism and key intermediates for HCOO – production. This work reports a joint experimental and theoretical investigation of the electrochemical reduction of CO 2 to HCOO – on polycrystalline Sn surfaces, which have been identified as promising catalysts for selectively producing HCOO – . Our results show that Sn electrodes produce HCOO – , carbon monoxide (CO), and hydrogen (H 2 ) across a range of potentials and that HCOO – production becomes favored at potentials more negative than –0.8 V vs RHE, reaching a maximum Faradaic efficiency of 70% at –0.9 V vs RHE. Scaling relations for Sn and other transition metals are examined using experimental current densities and density functional theory (DFT) binding energies. While *COOH was determined to be the key intermediate for CO production on metal surfaces, we suggest that it is unlikely to be the primary intermediate for HCOO – production. Instead, *OCHO is suggested to be the key intermediate for the CO 2 RR to HCOO – transformation, and Sn’s optimal *OCHO binding energy supports its high selectivity for HCOO – . Lastly, these results suggest that oxygen-bound intermediates are critical to understand the mechanism of CO 2 reduction to HCOO – on metal surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

CO 2 Hydrogenation to Formate and Formic Acid by Bimetallic Palladium–Copper Hydride Clusters

Mass spectrometric analysis of the anionic products of interaction between bimetallic palladium-copper tetrahydride anions, PdCuH 4 – , and carbon dioxide, CO 2 , in a reaction cell shows an efficient generation of the PdCuCO 2 H 4 – intermediate and formate/formic acid complexes. Multiple structures of PdCuH 4 – and PdCuCO 2 H 4 – are identified by a synergy between anion photoelectron spectroscopy and quantum chemical calculations. The higher energy PdCuH 4 – isomer is shown to drive the catalytic hydrogenation of CO 2 , emphasizing the importance of accounting for higher energy isomers for cluster catalytic activity. In conclusion, this study represents the first example of CO 2 hydrogenation by bimetallic hydride clusters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗