Operando generated copper-based catalyst enabling efficient electrosynthesis of 2,5-bis(hydroxymethyl)furan

Area of Science:

• Sustainable chemistry
• Electrocatalysis
• Biomass conversion

Background:

• Developing efficient and selective catalysts is crucial for upgrading biomass-derived platform molecules into high-value chemicals.
• Electrocatalytic methods offer an environmentally benign approach for chemical synthesis.

Purpose of the Study:

• To develop a high-efficiency electrocatalyst for converting 5-hydroxymethylfurfural (HMF) to 2,5-bis(hydroxymethyl)furan (BHMF).
• To investigate the active catalytic phase and reaction mechanism for HMF electrohydrogenation.
• To demonstrate the synthesis of deuterated BHMF for potential pharmaceutical applications.

Main Methods:

• Synthesis and characterization of a highly porous Cu-based catalyst.
• Electrochemical conversion of HMF to BHMF.
• Operando and ex-situ structural analysis (e.g., X-ray diffraction, X-ray photoelectron spectroscopy).
• Density functional theory (DFT) calculations.
• Synthesis of deuterated BHMF using D2O.

Main Results:

• A highly porous Cu-based catalyst achieved nearly 100% BHMF selectivity and long-term stability.
• Electrocatalytically generated Cu/Cu2O interfaces were identified as the active sites for HMF conversion.
• DFT calculations confirmed low energy barriers for HMF hydrogenation at the Cu/Cu2O interface.
• Deuterated BHMF was successfully synthesized, indicating potential for producing deuterated drugs.

Conclusions:

• The Cu/Cu2O interface is key to the electrocatalytic hydrogenation of HMF to BHMF.
• This work provides fundamental insights into electrocatalytic hydrogenation mechanisms.
• The developed electrocatalytic process shows significant promise for the sustainable synthesis of valuable chemicals from biomass.