Solution Combustion Synthesis and Characterization of Magnesium Copper Vanadates

Rawat, Abhishek and Clark, Laura and Zhang, Chuzhong and Cavin, John and Sangwan, Vinod and Tóth, Péter and Janáky, Csaba and Ananth, Riddhi and Goldfine, Elise and Bedzyk, Michael and Weiss, Emily and Rondinelli, James and Hersam, Mark and Meletis, Efstathios and Rajeshwar, Krishnan (2023) Solution Combustion Synthesis and Characterization of Magnesium Copper Vanadates. INORGANIC CHEMISTRY, 62 (23). pp. 8903-8913. ISSN 0020-1669

Text Solution Combustion Synthesis and Characterization of Magnesium Copper Vanadates_acs.inorgchem.3c00452.pdf - Published Version Restricted to Registered users only Download (8MB)

Abstract

Magnesium vanadate (MgV2O6) and its alloys with copper vanadate were synthesized via the solution combustion technique. Phase purity and solid solution formation were confirmed by a variety of experimental techniques, supported by electronic structure simulations based on density functional theory (DFT). Powder X-ray diffraction combined with Rietveld refinement, laser Raman spectroscopy, diffuse reflectance spectroscopy, and high-resolution transmission electron microscopy showed single-phase alloy formation despite the MgV2O6 and CuV2O6 end members exhibiting monoclinic and triclinic crystal systems, respectively. DFT-calculated optical band gaps showed close agreement in the computed optical bandgaps with experimentally derived values. Surface photovoltage spectroscopy, ambient-pressure photoemission spectroscopy, and Kelvin probe contact potential difference (work function) measurements confirmed a systematic variation in the optical bandgap modification and band alignment as a function of stoichiometry in the alloy composition. These data indicated n-type semiconductor behavior for all the samples which was confirmed by photoelectrochemical measurements.

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