Electrical conduction in molybdenum trioxide single crystal

Pandit, Abhiyan; Prasad, Mahesh; Ansari, T.H.; Singh, R. A.; Wanklyn, B.M.

doi:10.1016/0038-1098(91)90299-b

Cited by 12 publications

(8 citation statements)

References 9 publications

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“…Single-crystal MoO 3 was prepared by a flux method . The sample selected for study by photoemission had a plate-like morphology with dimensions of around 8 mm × 4 mm × 1 mm and came from a batch of crystals previously used in conductivity measurements . The large flat face had (010) orientation.…”

Section: Methodsmentioning

confidence: 99%

“…79 The sample selected for study by photoemission had a plate-like morphology with dimensions of around 8 mm × 4 mm × 1 mm and came from a batch of crystals previously used in conductivity measurements. 80 The large flat face had (010) orientation. A second crystal from the batch was ground to a powder, and it was confirmed that the powder X-ray diffraction pattern matched that described in the literature and was consistent with orthorhombic space group Pbnm with a ) 3.962 Å, b ) 13.855 Å, and c ) 3.696 Å.…”

Section: Methodsmentioning

confidence: 99%

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Theoretical and Experimental Study of the Electronic Structures of MoO₃and MoO₂

Scanlon¹,

Watson²,

Payne³

et al. 2010

J. Phys. Chem. C

565

426

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The geometric and electronic structures of MoO3 and MoO2 have been calculated using the generalized gradient approximation to density functional theory. The calculated cross-section weighted densities of states are compared with high-resolution X-ray photoemission spectra. There is very good agreement between the calculated structures and those determined previously by X-ray diffraction and between the computed densities of states and the present photoemission measurements. MoO2 is shown to be a metallic material, as is found experimentally, but the Fermi level sits in a distinct trough in the density of states. Satellite peaks found in core photoemission spectra of MoO2 are shown to derive from final state screening effects in this narrow band metallic material.

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Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Theoretical and Experimental Study of the Electronic Structures of MoO₃and MoO₂

Scanlon¹,

Watson²,

Payne³

et al. 2010

J. Phys. Chem. C

565

426

View full text Add to dashboard Cite

show abstract

“…Depending on the synthesis procedure, intrinsic room-temperature electronic conductivities in α-MoO 3 have been reported to vary over several orders of magnitude, from values of σ e ≈ 10 –10 to σ e ≈ 10 –4 S·cm –1 . ,, Similarly large variations in σ e can be effected through extrinsic doping. For example, in a recent investigation by Berthumeyrie et al, dielectric spectroscopy techniques were used to study variations in the mechanisms underlying electronic transport in Li x MoO 3 as a function of the Li content x .…”

Section: Introductionmentioning

confidence: 99%

Computational Investigation of Electron Small Polarons in α-MoO₃

et al. 2014

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The properties of electron small polarons in α-MoO3 are investigated computationally employing density-functional-theory with Hubbard-U corrections (DFT+U) and hybrid functionals (HSE06). These methods are used to compute the electronic and atomic structures of polarons localized on Mo ions, the barrier for adiabatic polaron hopping, and the magnitude of the binding energy with intercalated Li ions. The calculations establish a pronounced anisotropy in polaron mobilities, both within the bilayer sheets and across the van der Waals (vdW) gaps characteristic of the α-MoO3 structure. The lowest and highest energy barriers are found for hopping within the same bilayer plane and across the vdW gap, respectively. The binding energies between polarons and intercalated Li ions are calculated in supercells with composition Li0.028MoO3, yielding values of approximately 0.3 eV when Li ions are located in the one-dimensional channels within the bilayer sheets, and values that are approximately 0.1 eV lower in magnitude when Li resides in the two-dimensional interlayer van der Waals gaps.

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“…Dc conductivity of α-MoO 3 has been previously investigated for single crystals, powders, and thin films. Conductivity of single crystal was measured perpendicular to molybdenum trioxide sheets with a value of about 10 −10 S·cm −1 and that of pressed or sintered classical powders between 10 −10 and 10 −3 S·cm −1 . − Differences in stoichiometry and in sintering processes can lead to such differences in conductivity. Conductivity of aggregated powder of nanobelts was estimated at 10 −5 S·cm −1 .…”

Section: Introductionmentioning

confidence: 99%

Influence of Lithium Insertion on the Electronic Transport in Electroactive MoO₃ Nanobelts and Classical Powders: Morphological and Particle Size Effects

et al. 2010

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Studying the electronic transport in Li x MoO3 powders is of the utmost interest due to the strong influence of the grain size and morphology on their electrochemical cycling properties. An original straightforward synthesis method permitted the obtaining of nanobelts of α-MoO3 with a slightly better reversibility of Li insertion−deinsertion and a higher efficiency of the lithium insertion process. The broad-band dielectric spectroscopy technique from 40 to 1010 Hz was applied to Li x MoO3 micronic powder and nanobelts. Dielectric relaxations were found, attributed to polarons and bipolarons motions. The role of the morphology and size effect has been investigated by comparing the electron transport properties of micronic powder and nanobelts. Particle size effect is evidenced giving rise to different thermal behaviors between the two types of powders. This work opens up new prospects for a more fundamental understanding of the electronic transport in relation to the electrochemical properties of α-MoO3.

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Electrical conduction in molybdenum trioxide single crystal

Cited by 12 publications

References 9 publications

Theoretical and Experimental Study of the Electronic Structures of MoO₃and MoO₂

Theoretical and Experimental Study of the Electronic Structures of MoO₃and MoO₂

Computational Investigation of Electron Small Polarons in α-MoO₃

Influence of Lithium Insertion on the Electronic Transport in Electroactive MoO₃ Nanobelts and Classical Powders: Morphological and Particle Size Effects

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Electrical conduction in molybdenum trioxide single crystal

Cited by 12 publications

References 9 publications

Theoretical and Experimental Study of the Electronic Structures of MoO3and MoO2

Theoretical and Experimental Study of the Electronic Structures of MoO3and MoO2

Computational Investigation of Electron Small Polarons in α-MoO3

Influence of Lithium Insertion on the Electronic Transport in Electroactive MoO3 Nanobelts and Classical Powders: Morphological and Particle Size Effects

Contact Info

Product

Resources

About

Theoretical and Experimental Study of the Electronic Structures of MoO₃and MoO₂

Theoretical and Experimental Study of the Electronic Structures of MoO₃and MoO₂

Computational Investigation of Electron Small Polarons in α-MoO₃

Influence of Lithium Insertion on the Electronic Transport in Electroactive MoO₃ Nanobelts and Classical Powders: Morphological and Particle Size Effects