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Extreme sensitivity of a topochemical reaction to cation substitution: SrVo2H versus SrV1–xTixO1.5H1.5

DOI: 10.1021/acs.inorgchem.8b00026 DOI Help

Authors: Midori Amano Patino (University of Oxford) , Dihao Zeng (University of Oxford) , Stephen J. Blundell (University of Oxford) , John E. Mcgrady (University of Oxford) , Michael A. Hayward (University of Oxford)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Inorganic Chemistry

State: Published (Approved)
Published: February 2018
Diamond Proposal Number(s): 13284

Abstract: Titanium substitution dramatically changes the outcome of the anion exchange of SrVO3, yielding SrV1−xTiO1.5H1.5 not SrV1−xTiO2H. This dramatic change in reactivity is attributed to an electronic destabilization of SrVO2H on titanium substitution. Density functional theory calculations indicate that the presence of an anion-ordered, tetragonal SrMO2H phase is uniquely associated with a d2 electron count and that titanium substitution leads to an electronic destabilization of SrV1−xTixO2H phases, which, ultimately, drives further reaction of SrV1−xTixO2H to SrV1−xTixO1.5H1.5.

Subject Areas: Chemistry, Materials


Instruments: I11-High Resolution Powder Diffraction

Other Facilities: Swiss Muon Source

Added On: 19/02/2018 14:12

Discipline Tags:

Physical Chemistry Chemistry Materials Science Inorganic Chemistry Metallurgy

Technical Tags:

Diffraction X-ray Powder Diffraction