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- Clark, Melissa L., et al. Show all 9 Authors
- Journal of the American Chemical Society 2018 v.140 no.50 pp. 17643-17655
- binding sites; carbon dioxide; catalysts; density functional theory; direct contact; electric field; electrodes; gold; ligands; manganese; rhenium; semiconductors; spectroscopy
- ... Attaching molecular catalysts to metal and semiconductor electrodes is a promising approach to developing new catalytic electrodes with combined advantages of molecular and heterogeneous catalysts. However, the effect of the interfacial electric field on the stability, activity, and selectivity of the catalysts is often poorly understood due to the complexity of interfaces. In this work, we examin ...
- Clark, Melissa
L., et al. Show all 11 Authors
- The Journal of Physical Chemistry C 2016 v.120 no.3 pp. 1657-1665
- carbon dioxide; carbon monoxide; catalysts; catalytic activity; electrochemistry; electrodes; gold; ligands; physical chemistry; spectroscopy
- ... Sum frequency generation spectroscopy (SFG) and calculations of SFG spectra based on density functional theory are combined to elucidate the orientation of two Re(R-2,2′-bipyridine)(CO)₃Cl (R = 4-cyano or 4,4′-dicyano) electrocatalysts when adsorbed on conductive gold surfaces. We find that the electrocatalysts lean on the Au surface to orient the plane of the bipyridine ligand at 63° relative to ...