Designing MXene-Cu2O-Fe3O4 Nanocomposite for Efficient Photoelectrocatalytic CO2 Reduction to Methanol

초록

This study presents the synthesis and application of Ti3C2/Cu2O/Fe3O4 ternary nanocomposites for photoelectrocatalytic CO2 reduction (PEC-CO2R) to value-added chemicals. Cu2O/Fe3O4 and Ti3C2/Cu2O/Fe3O4 nanocomposites were fabricated via a hydrothermal method and employed as photocathodes under varying light sources and halide-containing electrolytes. Structural and morphological analyses confirmed the formation of interfacial junctions between 2D MXene Ti3C2 and the Cu2O/Fe3O4 mixed metal oxides, enabling efficient charge separation and electron transfer. First-principles DFT calculations revealed favorable electronic structures and enhanced electron mobility across the heterojunction. 2D MXene Ti3C2 surface contributed additional active sites, while the Cu2O/Fe3O4 oxide heterojunction improved light utilization. Under UV-light irradiation, the Ti3C2/Cu2O/Fe3O4-based PEC-CO2R system achieved high selectivity toward methanol and ethanol, with maximum production rates of 65.48 μmol/mL and 25.88 μmol/mL, respectively. Moreover, the nanocomposite maintained stable catalytic activity over one month, confirming its long-term operational durability. These findings demonstrate that integrating 2D MXene with Cu2O/Fe3O4 offers a promising catalyst design strategy for efficient and stable PEC-CO2R applications. Key words: 2D MXene, Cu2O/Fe3O4, Ti3C2/Cu2O/Fe3O4, DFT calculation, Photoelectrocatalytic reduction of CO2, Methanol 사사 본 연구는 2025년 산업통상자원부 및 산업기술기획평가원(KEIT) 연구비 지원에 의한 연구임(RS- 2022-00156073)