Dopant-Dependent SFG Response of Rhenium CO2 Reduction Catalysts Chemisorbed on SrTiO3 (100) Single Crystals

Aimin Ge, Pablo E. Videla, Benjamin Rudshteyn, Qiliang Liu, Victor S. Batista, Tianquan Lian

研究成果: Article査読

9 被引用数 (Scopus)


Monolayers of fac-Re(4,4′-dicarboxyl-2,2′-bipyridine)(CO)3Cl (ReC0A) complexes, covalently bound to TiO2-terminated SrTiO3 (100) (STO) single crystals, were studied by both vibrational Sum Frequency Generation (SFG) spectroscopy and Density Functional Theory (DFT). Homodyne-detected SFG results show that the SFG spectral shape of ReC0A on Nb-doped STO surfaces is almost opposite to that of ReC0A on undoped or Fe-doped STO surfaces, which we assign to a phase change of the SFG response of STO induced by the Nb rather than a change in orientation of the molecule. DFT calculations show that the doping with Nb populates the conduction band of the system, giving a metallic nature to the otherwise insulator STO substrate. This change in electronic structures of the substrate leads to a big nonresonant SFG response and thus interference with the spectra. The orientation of the ReC0A on all three substrates was found to be tilted by 45-50°, with a bidentate binding geometry and the Cl atom facing the surface. The reported results indicate that a molecular probe can be used to obtain information about the underlying material.

ジャーナルJournal of Physical Chemistry C
出版ステータスPublished - 2018 6月 28

ASJC Scopus subject areas

  • 電子材料、光学材料、および磁性材料
  • エネルギー(全般)
  • 物理化学および理論化学
  • 表面、皮膜および薄膜


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