Layered Double Hydroxides (LDHs) are versatile materials with tuneable properties. They show promising electro- and photo-catalytic activity in the activation and conversion of CO2. Their unique properties make LDHs pivotal materials in emerging sustainable strategies for mitigating the effect of CO2 emissions. However, the intricate structure-property relationship inherent to LDHs challenges their rational design. In this review, we provide a comprehensive overview of both experimental and computational studies about LDHs for photo- and electro-catalytic conversion of CO2, mainly focusing on Cu-based systems due to their superior performance in producing C-2 products. We present a background framework, describing the essentials computational and experimental tools, designed to support both experimentalists and theoreticians in the development of tailored LDH materials for efficient and sustainable CO2 valorisation. Finally, we discuss future potential advancements, emphasizing the importance of new synergistic experimental-computational studies.
Loprete, F., Tosi Brandi, E., Calcagno, F., De Maron, J., Fasolini, A., Tarroni, R., et al. (2025). Advancing CO2 Conversion with Cu-LDHs: A Review of Computational and Experimental Studies. THE CHEMICAL RECORD, 25(7), e202500014-e202500049 [10.1002/tcr.202500014].
Advancing CO2 Conversion with Cu-LDHs: A Review of Computational and Experimental Studies
Loprete F.;Tosi Brandi E.;Calcagno F.;De Maron J.;Fasolini A.;Tarroni R.;Basile F.;Rivalta I.
2025
Abstract
Layered Double Hydroxides (LDHs) are versatile materials with tuneable properties. They show promising electro- and photo-catalytic activity in the activation and conversion of CO2. Their unique properties make LDHs pivotal materials in emerging sustainable strategies for mitigating the effect of CO2 emissions. However, the intricate structure-property relationship inherent to LDHs challenges their rational design. In this review, we provide a comprehensive overview of both experimental and computational studies about LDHs for photo- and electro-catalytic conversion of CO2, mainly focusing on Cu-based systems due to their superior performance in producing C-2 products. We present a background framework, describing the essentials computational and experimental tools, designed to support both experimentalists and theoreticians in the development of tailored LDH materials for efficient and sustainable CO2 valorisation. Finally, we discuss future potential advancements, emphasizing the importance of new synergistic experimental-computational studies.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
