Fig. 6: In situ characterization and theoretical determination of the HMFOR pathway. | Nature Communications

Fig. 6: In situ characterization and theoretical determination of the HMFOR pathway.

From: Integrated electrochemical and chemical system for ampere-level production of terephthalic acid alternatives and hydrogen

Fig. 6

Bode phase plots of the in situ EIS over A-Co-Ni2P without (a) and with (b) HMF. In situ Raman spectra of A-Co-Ni2P without (c) and with (d) HMF. a. u. arbitrary units. e Charge density difference and bader charge analysis of HMF adsorbed on the NiOOH and Co-NiOOH (the yellow and cyan colors represent charge accumulation and depletion, respectively, the iso-surface value is 0.0008 e Å−3). f Free energies diagram of HMFOR step via pathway II on NiOOH and Co-NiOOH, and corresponding adsorption configurations intermediates for HMFOR on Co-NiOOH. The blue and red shading represent the rate-determining step for different catalysts. The numerical symbols represent the reaction steps.

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