期刊
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷 144, 期 13, 页码 5739-5744出版社
AMER CHEMICAL SOC
DOI: 10.1021/jacs.2c01274
关键词
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资金
- National Science Foundation EFRI program [2132007]
- Chemical Engineering Department at Stanford University
- National Aeronautics and Space Administration (NASA) Space Technology Graduate Research Opportunities fellowship [80NSSC20K1207]
- TomKat Center for Sustainable Energy
- U.S. Department of Energy, Office of Basic Energy Sciences, Chemical Sciences, Geosciences and Biosciences Division
- U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, Catalysis Science Program
- Knut and Alice Wallenberg Foundation [2019.0586]
- National Energy Research Scientific Computing Center [m2997]
- Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]
- U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-76SF00515]
- National Science Foundation [ECCS-2026822]
- Austrian Science Fund (FWF) [M2997] Funding Source: Austrian Science Fund (FWF)
The study demonstrates the surface reconstruction and formation of titanium hydride on titanium electrodes during the electrochemical nitrate reduction reaction. The obtained quantitative relationship allows the decoupling of hydride formation from the reaction performance, and enables the design and operation of catalysts for the NO3RR. The NO3RR activity and selectivity of TiH2/Ti electrodes at different potentials were analyzed using density functional theory calculations.
The electrochemical nitrate reduction reaction (NO3RR) on titanium introduces significant surface reconstructionand forms titanium hydride (TiHx,0<= 2). Withex situgrazing-incidence X-ray diffraction (GIXRD) and X-ray absorptionspectroscopy (XAS), we demonstrated near-surface TiH2enrichment with increasing NO3RR applied potential and duration. Thisquantitative relationship facilitated electrochemical treatment of Ti to form TiH2/Ti electrodes for use in NO3RR, therebydecoupling hydride formation from NO3RR performance. A wide range of NO3RR activity and selectivity on TiH2/Ti electrodesbetween-0.4 and-1.0 VRHEwas observed and analyzed with density functional theory (DFT) calculations on TiH2(111). Thiswork underscores the importance of relating NO3RR performance with near-surface electrode structure to advance catalyst designand operation
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