A theoretical and experimental study of hexagonal molybdenum trioxide as dual-ion electrode for rechargeable magnesium battery

Cabello, Marta; Medina, Alejandro; Alcántara, Ricardo; Nacimiento, Francisco; Vicente, C.; Ortiz, Gregório F.

doi:10.1016/j.jallcom.2020.154795

Cited by 15 publications

(11 citation statements)

References 58 publications

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“…The bands observed between 1000 and 400 cm −1 are attributed to the elongation and bending of the Mo‐O group with different bond lengths 46 . The characteristic vibrational bands of the h ‐MoO 3 phase observed in the h/ α‐MoO 3 sample are reported at ~977 and ~557 cm −1 , the first referring to the vibrations of Mo═O, due to internal vibrations of MoO 6 octahedrons and the second attributed to MoO vibrations, with indicative of symmetrical and asymmetrical stretches 45 …”

Section: Resultsmentioning

confidence: 96%

“…The identification for the absorption bands in FTIR spectra (Figure 4B) was made according to the literature 12,39,45 . For the h /α‐MoO 3 catalyst, the band at ~3257 and 1608 cm −1 second corresponds to weakly bound structural water.…”

Section: Resultsmentioning

confidence: 99%

“…46 The characteristic vibrational bands of the h-MoO 3 phase observed in the h/α-MoO 3 sample are reported at $977 and $557 cm À1 , the first referring to the vibrations of Mo═O, due to internal vibrations of MoO 6 octahedrons and the second attributed to Mo O vibrations, with indicative of symmetrical and asymmetrical stretches. 45 The α-MoO 3 phase is characterized by vibrational bands around $977, 856 and 455 cm À1 regarding the vibration of the Mo═O bond, involving terminal oxygens. The broadband at $557 cm À1 and the shoulder at $455 cm À1 are attributed to the vibrations of the symmetrical Mo O bonds that make up the molybdenum and oxygen atoms.…”

Section: Characterization Of Catalysts Synthesized By Combustion Reac...mentioning

confidence: 99%

“…The identification for the absorption bands in FTIR spectra (Figure 4B) was made according to the literature. 12,39,45 For the h/α-MoO 3 catalyst, the band at $3257 and 1608 cm À1 second corresponds to weakly bound structural water. The bands at $1448 cm À1 can be attributed to the H-N-H bending vibration of the ammonium ion present in the MoO 3 structure, 39 possibly due to the synthesis temperature reached ($400 C).…”

Section: Characterization Of Catalysts Synthesized By Combustion Reac...mentioning

confidence: 99%

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Synthesis of MoO ₃ by pilot‐scale combustion reaction and evaluation in biodiesel production from residual oil

Silva

Farias

Melo

et al. 2022

Intl J of Energy Research

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Summary The MoO3 was synthesized on a pilot scale by combustion reaction and their catalytic performance was investigated to obtain biodiesel from residual oil by simultaneous reactions of transesterification and esterification (TES). The catalyst was characterized by X‐ray diffraction with respective Rietveld refinement, Fourier transform infrared, and RAMAN spectroscopies, scanning electron microscopy, determination of the specific surface area by the method of N2 adsorption (Brunauer, Emmett, and Teller), and acidity test by temperature‐programmed desorption of ammonia molecule. The catalytic properties were evaluated through catalytic tests while the products of the TES reactions were characterized by gas chromatography, kinematic viscosity, and acidity index. Such results indicated that single‐phase catalysts (α‐MoO3‐100%) and biphasic (h/α‐MoO3‐hexagonal 56.80% and orthorhombic 43.20%) were synthesized, which presented crystalline fraction and crystal size of 88% to 90% and 33 to 84 nm, respectively. The crystalline phases (α‐MoO3 and h/α‐MoO3) showed typical morphologies of microplate agglomerates, irregular rods, the surface area of 1.5 to 4.7 m2 g−1, and total acidity equivalent to 30 to 84 μmol g−1 NH3. The MoO3 was successfully synthesized by pilot‐scale combustion reaction and showed promising results, with high conversions to ethyl esters (between 93% and 99%), maintaining activity (useful life) after five consecutive reuse cycles. Thus, the catalysts studied have the potential to enable positive impacts on the environment and society in general.

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Section: Resultsmentioning

confidence: 96%

Section: Resultsmentioning

confidence: 99%

Section: Characterization Of Catalysts Synthesized By Combustion Reac...mentioning

confidence: 99%

Section: Characterization Of Catalysts Synthesized By Combustion Reac...mentioning

confidence: 99%

See 2 more Smart Citations

Synthesis of MoO ₃ by pilot‐scale combustion reaction and evaluation in biodiesel production from residual oil

Silva

Farias

Melo

et al. 2022

Intl J of Energy Research

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“…The polytype h-MoO 3 (s.g. P6 3 /m, Figure 8 –left), which possesses a structure with wide channels, was studied for Mg-intercalation by Cabello et al [ 50 ]. According to the theoretical calculations using the DFT, the Mg-intercalation voltage is around 2.7–2.9 V, depending on the intercalation site.…”

Section: High-voltage Electrodementioning

confidence: 99%

Advancing towards a Practical Magnesium Ion Battery

2021

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A post-lithium battery era is envisaged, and it is urgent to find new and sustainable systems for energy storage. Multivalent metals, such as magnesium, are very promising to replace lithium, but the low mobility of magnesium ion and the lack of suitable electrolytes are serious concerns. This review mainly discusses the advantages and shortcomings of the new rechargeable magnesium batteries, the future directions and the possibility of using solid electrolytes. Special emphasis is put on the diversity of structures, and on the theoretical calculations about voltage and structures. A critical issue is to select the combination of the positive and negative electrode materials to achieve an optimum battery voltage. The theoretical calculations of the structure, intercalation voltage and diffusion path can be very useful for evaluating the materials and for comparison with the experimental results of the magnesium batteries which are not hassle-free.

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Magnesium Deintercalation From the Spinel‐Type MgMn_2‐yFe_yO₄ (0.4≤y≤2.0) by Acid‐Treatment and Electrochemistry

Medina

Rodríguez

Vicente

et al. 2021

Chemistry A European J

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Rechargeable magnesium batteries attract lots of attention because of their high safety and low cost compared to lithium batteries, and it is needed to develop more efficient electrode materials. Although MgMn 2 O 4 is a promising material for the positive electrode in Mg rechargeable batteries, it usually exhibits poor cyclability. To improve the electrochemical behavior, we have prepared nanoparticles of MgMn 2-y Fe y O 4 . The XRD results have confirmed that when Mn 3 + (Jahn-Teller ion) ions are replaced by Fe 3 + (non-Jahn-Teller ion), the resulting MgMn 2-y Fe y O 4 is a cubic phase. The structure and theoretical voltage are theoretically calculated by using the DFT method. The obtained samples have been chemically treated in acid solution for partial demagnesiation, and it is observed that the presence of iron inhibits the deinsertion of Mg through disproportionation and favors the exchange reaction. The electrochemical behavior in nonaqueous magnesium cells has been explored.

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A theoretical and experimental study of hexagonal molybdenum trioxide as dual-ion electrode for rechargeable magnesium battery

Cited by 15 publications

References 58 publications

Synthesis of MoO ₃ by pilot‐scale combustion reaction and evaluation in biodiesel production from residual oil

Synthesis of MoO ₃ by pilot‐scale combustion reaction and evaluation in biodiesel production from residual oil

Advancing towards a Practical Magnesium Ion Battery

Magnesium Deintercalation From the Spinel‐Type MgMn_2‐yFe_yO₄ (0.4≤y≤2.0) by Acid‐Treatment and Electrochemistry

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A theoretical and experimental study of hexagonal molybdenum trioxide as dual-ion electrode for rechargeable magnesium battery

Cited by 15 publications

References 58 publications

Synthesis of MoO 3 by pilot‐scale combustion reaction and evaluation in biodiesel production from residual oil

Synthesis of MoO 3 by pilot‐scale combustion reaction and evaluation in biodiesel production from residual oil

Advancing towards a Practical Magnesium Ion Battery

Magnesium Deintercalation From the Spinel‐Type MgMn2‐yFeyO4 (0.4≤y≤2.0) by Acid‐Treatment and Electrochemistry

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Synthesis of MoO ₃ by pilot‐scale combustion reaction and evaluation in biodiesel production from residual oil

Synthesis of MoO ₃ by pilot‐scale combustion reaction and evaluation in biodiesel production from residual oil

Magnesium Deintercalation From the Spinel‐Type MgMn_2‐yFe_yO₄ (0.4≤y≤2.0) by Acid‐Treatment and Electrochemistry