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Investigation on Electroreduction of CO2 to Formic Acid Using Cu3(BTC)2 Metal-Organic Framework (Cu-MOF) and Graphene Oxide.

ABSTRACT: A recent class of porous materials, viz., metal-organic frameworks (MOFs), finds applications in several areas. In this work, Cu-based MOFs (Cu-benzene-1,3,5-tricarboxylic acid) along with graphene oxide, viz., Cu-MOF/GO, are synthesized and used further for reducing CO2 electrochemically. The reduction was accomplished in various supporting electrolytes, viz., KHCO3/H2O, tetrabutylammonium bromide (TBAB)/dimethylformamide (DMF), KBr/CH3OH, CH3COOK/CH3OH, TBAB/CH3OH, and tetrabutylammonium perchlorate (TBAP)/CH3OH to know their effect on product formation. The electrode fabricated with the synthesized material was used for testing the electroreduction of CO2 at various polarization potentials. The electrochemical reduction of CO2 is carried out via the polarization technique within the experimented potential regime vs saturated calomel electrode (SCE). Ion chromatography was employed for the analysis of the produced products in the electrolyte, and the results showed that HCOOH was the main product formed through reduction. The highest concentrations of HCOOH formed for different electrolytes are 0.1404 mM (-0.1 V), 66.57 mM (-0.6 V), 0.2690 mM (-0.5 V), 0.2390 mM (-0.5 V), 0.7784 mM (-0.4 V), and 0.3050 mM (-0.45 V) in various supporting electrolyte systems, viz., KHCO3/H2O, TBAB/DMF, KBr/CH3OH, CH3COOK/CH3OH, TBAB/CH3OH, and TBAP/CH3OH, respectively. The developed catalyst accomplished a significant efficiency in the conversion and reduction of CO2. A high faradic efficiency of 58% was obtained with 0.1 M TBAB/DMF electrolyte, whereas for Cu-MOF alone, the efficiency was 38%. Thus, the work is carried out using a cost-effective catalyst for the conversion of CO2 to formic acid than using the commercial electrodes. The synergistic effect of GO sheets at 3 wt % concentration and Cu+OH- interaction leads to the formation of formic acid in various electrolytes.

SUBMITTER: Hwang SM

PROVIDER: S-EPMC7513332 | biostudies-literature | 2020 Sep

REPOSITORIES: biostudies-literature

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Investigation on Electroreduction of CO2 to Formic Acid Using Cu3(BTC)2 Metal-Organic Framework (Cu-MOF) and Graphene Oxide.

Hwang Sun-Mi SM Choi Song Yi SY Youn Min Hye MH Lee Wonhee W Park Ki Tae KT Gothandapani Kannan K Grace Andrews Nirmala AN Jeong Soon Kwan SK

ACS omega 20200914 37

A recent class of porous materials, viz., metal-organic frameworks (MOFs), finds applications in several areas. In this work, Cu-based MOFs (Cu-benzene-1,3,5-tricarboxylic acid) along with graphene oxide, viz., Cu-MOF/GO, are synthesized and used further for reducing CO2 electrochemically. The reduction was accomplished in various supporting electrolytes, viz., KHCO3/H2O, tetrabutylammonium bromide (TBAB)/dimethylformamide (DMF), KBr/CH3OH, CH3</s ...[more]

PMID: 32984712

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Project description:Several thousands of metal organic frameworks (MOFs) have been reported to date, but the information on H2/N2 separation performances of MOF membranes is currently very limited in the literature. We report the first large-scale computational screening study that combines state-of-the-art molecular simulations, grand canonical Monte Carlo (GCMC) and molecular dynamics (MD), to predict H2 permeability and H2/N2 selectivity of 3765 different types of MOF membranes. Results showed that MOF membranes offer very high H2 permeabilities, 2.5 × 103 to 1.7 × 106 Barrer, and moderate H2/N2 membrane selectivities up to 7. The top 20 MOF membranes that exceed the polymeric membranes' upper bound for H2/N2 separation were identified based on the results of initial screening performed at infinite dilution condition. Molecular simulations were then carried out considering binary H2/N2 and quaternary H2/N2/CO2/CO mixtures to evaluate the separation performance of MOF membranes under industrial operating conditions. Lower H2 permeabilities and higher N2 permeabilities were obtained at binary mixture conditions compared to the ones obtained at infinite dilution due to the absence of multicomponent mixture effects in the latter. Structure-performance relations of MOFs were also explored to provide molecular-level insights into the development of new MOF membranes that can offer both high H2 permeability and high H2/N2 selectivity. Results showed that the most promising MOF membranes generally have large pore sizes (>6 Å) as well as high surface areas (>3500 m2/g) and high pore volumes (>1 cm3/g). We finally examined H2/N2 separation potentials of the mixed matrix membranes (MMMs) in which the best MOF materials identified from our high-throughput screening were used as fillers in various polymers. Results showed that incorporation of MOFs into polymers almost doubles H2 permeabilities and slightly enhances H2/N2 selectivities of polymer membranes, which can advance the current membrane technology for efficient H2 purification.

Dataset Information

Investigation on Electroreduction of CO2 to Formic Acid Using Cu3(BTC)2 Metal-Organic Framework (Cu-MOF) and Graphene Oxide.

Publications

Investigation on Electroreduction of CO<sub>2</sub> to Formic Acid Using Cu<sub>3</sub>(BTC)<sub>2</sub> Metal-Organic Framework (Cu-MOF) and Graphene Oxide.

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