Behavior of silver molybdate at high-pressure

Arora, Akhi̇lesh; Nithya, R.; Misra, Sunasira; Yagi, T.

doi:10.1016/j.jssc.2012.07.003

Cited by 37 publications

(37 citation statements)

References 40 publications

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“…However, the room temperature structure of the Ag2MoO4 crystal exists in two different forms namely as α-Ag2MoO4 (tetragonal) and β-Ag2MoO4 (cubic) [33]. The structure of β-Ag2MoO4 was originally examined by the X-ray diffraction method [34], in a cubic spinel-like structure with lattice parameter a = 9.322 Å [6,35,34].…”

Section: Introductionmentioning

confidence: 99%

Phonon properties of β-Ag2MoO4: Raman spectroscopy and ab initio calculations

Moura

Filho

Freire

et al. 2016

Vibrational Spectroscopy

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Section: Introductionmentioning

confidence: 99%

Phonon properties of β-Ag2MoO4: Raman spectroscopy and ab initio calculations

Moura

Filho

Freire

et al. 2016

Vibrational Spectroscopy

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“…The crystal structure Ag 2 MoO 4 obtained by Wyckoff can be found in two forms: α‐Ag 2 MoO 4 has a tetragonal structure while β‐Ag 2 MoO 4 is cubic with a spinel structure . The α‐phase irreversibly transforms to the most stable β‐phase upon heating above ambient temperature.…”

Section: Introductionmentioning

confidence: 99%

“…[ 58 ] The crystal structure Ag 2 MoO 4 obtained by Wyckoff [ 59 ] can be found in two forms: α-Ag 2 MoO 4 has a tetragonal structure while β-Ag 2 MoO 4 is cubic with a spinel structure. [59][60][61] The α-phase irreversibly transforms to the most stable β-phase upon heating above ambient temperature. Arora et al [ 60 ] have studied the behavior of the cubic spinel phase of Ag 2 MoO 4 at high pressure as characterized by X-ray diffraction and Raman spectroscopy, and, in this context, our group has studied the effect of pressure on β-Ag 2 MoO 4 [ 62 ] as a continuation of previous articles on the MgAl 2 O 4 normal spinel and Zn 2 SnO 4 inverse spinel structures.…”

Section: Introductionmentioning

confidence: 99%

“…[59][60][61] The α-phase irreversibly transforms to the most stable β-phase upon heating above ambient temperature. Arora et al [ 60 ] have studied the behavior of the cubic spinel phase of Ag 2 MoO 4 at high pressure as characterized by X-ray diffraction and Raman spectroscopy, and, in this context, our group has studied the effect of pressure on β-Ag 2 MoO 4 [ 62 ] as a continuation of previous articles on the MgAl 2 O 4 normal spinel and Zn 2 SnO 4 inverse spinel structures. [ 63,64 ] Very recently, we have investigated a correlation between theoretical calculations and experimental data to explain the electronic structure and optical properties of β-Ag 2 MoO 4 microcrystals.…”

Section: Introductionmentioning

confidence: 99%

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A Combined Experimental and Theoretical Study on the Formation of Ag Filaments on β‐Ag₂MoO₄Induced by Electron Irradiation

Andrés

Ferrer

Gracia

et al. 2015

Part & Part Syst Charact

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A combined experimental and theoretical study is presented to understand the novel observed nucleation and early evolution of Ag filaments on Ag 2 MoO 4 crystals, driven by an accelerated electron beam from an electronic microscope under high vacuum. The growth process, chemical composition and the element distribution in these filaments were analyzed in depth at the nanoscale level using field emission scanning electron microscopy (FE-SEM) and transmission electron microscopy (TEM) with energy dispersive spectroscopy (EDS) characterization. To complement experimental results, chemical stability, structural and electronic aspects have been studied systematically using first-principles electronic structure theory within a QTAIM framework. The Ag nucleation and formation on -Ag 2 MoO 4 is a result of structural and electronic changes of the AgO 4 tetrahedral cluster as a constituent building block of -Ag 2 MoO 4 , consistent with Ag metallic formation. The formation of Ag filament transforms the -Ag 2 MoO 4 semiconductor from n to p type concomitant with the appearance of Ag defects.

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“…11,22,23 Few reports in the literature have described Ag 2 MoO 4 polymorphism. According to Arora et al, 24 this oxide is able to exhibit a (α-phase) tetragonal structure or (β-phase) cubic structure, depending on the pressure used in the processing. Singh et al 11 investigated the influence of pH on the formation of broom-and flowerlike Ag 2 MoO 4 heterostructures by the CH approach.…”

Section: Introductionmentioning

confidence: 99%

Experimental and Theoretical Investigations of Electronic Structure and Photoluminescence Properties of β-Ag₂MoO₄ Microcrystals

et al. 2014

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In this paper, we investigate a correlation between theoretical calculations and experimental data to explain the electronic structure and optical properties of silver molybdate (β-Ag 2 MoO 4 ) microcrystals synthesized by the microwave-assisted hydrothermal method. X-ray diffraction, Rietveld refinement, and micro-Raman spectroscopy confirmed that these microcrystals crystallize in a spinel-type cubic structure. Field-emission scanning electron microscopy images revealed that the processing temperatures influence in the final shape of microcrystals. Optical properties were analyzed by ultraviolet−visible diffuse reflectance spectroscopy; the increase in the optical band gap energy (E gap ) (from 3.24 to 3.31 eV) with processing temperature is associated with the reduction of intermediary energy levels. First-principles quantum mechanical calculations based on the density functional theory at the B3LYP level were conducted. The calculated band structure revealed an indirect E gap of approximately 4.00 and 3.34 eV for the β-Ag 2 MoO 4 without and with the formation of defects, respectively. Theoretical calculations based on density of states and electron density maps were employed to understand the polarization phenomenon induced by structural defects in the β-Ag 2 MoO 4 crystals. Finally, photoluminescence properties at room temperature of β-Ag 2 MoO 4 microcrystals were explained by the charge-transfer mechanism involving tetrahedral [MoO 4 ] clusters.

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Behavior of silver molybdate at high-pressure

Cited by 37 publications

References 40 publications

Phonon properties of β-Ag2MoO4: Raman spectroscopy and ab initio calculations

Phonon properties of β-Ag2MoO4: Raman spectroscopy and ab initio calculations

A Combined Experimental and Theoretical Study on the Formation of Ag Filaments on β‐Ag₂MoO₄Induced by Electron Irradiation

Experimental and Theoretical Investigations of Electronic Structure and Photoluminescence Properties of β-Ag₂MoO₄ Microcrystals

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Behavior of silver molybdate at high-pressure

Cited by 37 publications

References 40 publications

Phonon properties of β-Ag2MoO4: Raman spectroscopy and ab initio calculations

Phonon properties of β-Ag2MoO4: Raman spectroscopy and ab initio calculations

A Combined Experimental and Theoretical Study on the Formation of Ag Filaments on β‐Ag2MoO4Induced by Electron Irradiation

Experimental and Theoretical Investigations of Electronic Structure and Photoluminescence Properties of β-Ag2MoO4 Microcrystals

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Product

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A Combined Experimental and Theoretical Study on the Formation of Ag Filaments on β‐Ag₂MoO₄Induced by Electron Irradiation

Experimental and Theoretical Investigations of Electronic Structure and Photoluminescence Properties of β-Ag₂MoO₄ Microcrystals