Surface Orientation Dependent Water Dissociation on Rutile Ruthenium Dioxide

Rao, Reshma R.; Kolb, Manuel J.; Hwang, Jonathan; Pedersen, Anders Filsøe; Mehta, Apurva; You, Hoydoo; Stoerzinger, Kelsey A.; Feng, Zhenxing; Zhou, Hua; Bluhm, Hendrik; Giordano, Livia; Stephens, Ifan E. L.; Shao-Horn, Yang

doi:10.1021/acs.jpcc.8b04284

Title: Surface Orientation Dependent Water Dissociation on Rutile Ruthenium Dioxide

Journal Article · Thu Jul 12 00:00:00 EDT 2018 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.8b04284· OSTI ID:1470909

^[1]; Kolb, Manuel J. ^[2]; Hwang, Jonathan ^[1]; Pedersen, Anders Filsøe ^[3];

^[4]; You, Hoydoo ^[5];

^[2];

^[6]; Zhou, Hua ^[5];

^[7]; Giordano, Livia ^[8];

^[9];

^[1]

Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Technical Univ. of Denmark, Lyngby (Denmark)
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)
Oregon State Univ., Corvallis, OR (United States)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Univ. di Milano-Bicocca, Milano (Italy)
Technical Univ. of Denmark, Lyngby (Denmark); Imperial College London, London (United Kingdom)

Rutile RuO2 is a highly active catalyst for a number of (electro)chemical reactions in aqueous solutions or in humid environments. However, the study of the interaction of RuO2 surfaces with water has been confined largely to the ultrahigh vacuum environment and to the thermodynamically stable (110) surface. In this work, we combine ambient-pressure X-ray photoelectron spectroscopy, in situ surface diffraction, and density functional theory calculations to investigate how four different facets of RuO2 interact with water under humid and electrochemical environments. The vacant coordinatively unsaturated Ru site (CUS) allows for the adsorption and dissociation of water molecules. Different surfaces exhibit unique binding energetics for -H2O and -OH and can allow for different degrees of hydrogen bonding between the adsorbates. Consequently, the degree of water dissociation is found to be sensitive to the surface crystallographic orientation-being maximum for the (101) surface, followed by the (110), (001) and (100) surfaces. This study identifies crystallographic orientation as an important parameter to tune not only the density of active sites but also the energetics for water dissociation; this finding is of great significance for many catalytic reactions, where water is a key reactant, or product.

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Research Organization:: SLAC National Accelerator Lab., Menlo Park, CA (United States); Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-76SF00515; 02/MI/MIT/CP/11/07633/GEN/G/00; 12-133817; AC02-06CH11357

OSTI ID:: 1470909

Alternate ID(s):: OSTI ID: 1483418

Journal Information:: Journal of Physical Chemistry. C, Vol. 122, Issue 31; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 38 works

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