Local reactivity descriptors to decipher the electrochemical hydrogenation of unsaturated carboxylic acids

2023/01/01 by Marco Nazareno Dell’Anna, Geet Gupta, Prathamesh Tushar Prabhu +3 · 1 voice · 1 citation
Energy · Engineering · #Advanced battery technologies research #CO2 Reduction Techniques and Catalysts #Electrocatalysts for Energy Conversion

paper · pdf · doi:10.1039/d3gc02909c

openalex publication_date 2023/01/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/06/26

Abstract

We explain the intricate interplay between electronic properties and reactivity during the electrochemical hydrogenation of biobased unsaturated (di)acids under acidic and neutral conditions.

Citations

• Density-functional thermochemistry. III. The role of exact exchange
• Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
• Techno-economic assessment of low-temperature carbon dioxide electrolysis

Cited by

• Structure sensitivity of the electrochemical hydrogenation of cis , cis -muconic acid to hexenedioic acid and adipic acid

Discussions

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