Étude hydrothermale du système VO2-VO2,5-H2O

Théobald, F.

doi:10.1016/0022-5088(77)90157-6

Cited by 80 publications

(49 citation statements)

References 32 publications

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“…Comparing the energy range of the polymorph space with evidence of successful synthesis (at some conditions) provides us with a estimated 'accessible energy' scale. For example, we note that the metastable A-phase has been successfully synthesized using hydrothermal 14 and physical vapor deposition techniques . 32 Hence, the present results indicate, rather encouragingly, that a large exploration energy window of metastability (up to 80 meV/atom including potential inaccuracies in DFT) may be overcome using customized synthesis techniques and conditions.…”

Section: Homostructural Epitaxymentioning

confidence: 99%

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Computational Approach for Epitaxial Polymorph Stabilization through Substrate Selection

Ding

Dwaraknath

Garten

et al. 2016

ACS Appl. Mater. Interfaces

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With the ultimate goal of finding new polymorphs through targeted synthesis conditions and techniques, we outline a computational framework to select optimal substrates for epitaxial growth using first principle calculations of formation energies, elastic strain energy and topological information. To demonstrate the approach, we study the stabilization of metastable VO 2 compounds which provides a rich chemical as well as structural polymorph space. We find that common polymorph statistics, lattice matching and energy above hull considerations recommends homostructural growth on TiO 2 substrates, where the VO 2 brookite phase would be preferentially grown on the a -c TiO 2 brookite plane while the columbite and anatase structures favor the a -b 1 plane on the respective TiO 2 phases. Overall, we find that a model which incorporates a geometric unit cell area matching between the substrate and the target film as well as the resulting strain energy density of the film provide qualitative agreement with experimental observations for the heterostructural growth of known VO 2 polymorphs: rutile A-and B phases. The minimal interfacial geometry matching and estimated strain energy criteria provide several suggestions for substrates and substrate-film orientations for the heterostructural growth of the hitherto hypothetical anatase, brookite and columbite polymorphs. These criteria serve as a preliminary guidance for the experimental e↵orts stabilizing new materials and/or polymorphs through epitaxy. The current screening algorithm is being integrated within the Materials Project online framework and data and hence publicly available.

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Section: Homostructural Epitaxymentioning

confidence: 99%

“…While the epitaxial constrain preferentially stabilizes the columbite phase among the considered phases, we also note that the energy di↵erence between columbite and brookite is very small even up to 9% total strain, which may limit the phase selectivity. 14 …”

Section: Heterostructural Epitaxymentioning

confidence: 99%

Computational Approach for Epitaxial Polymorph Stabilization through Substrate Selection

Ding

Dwaraknath

Garten

et al. 2016

ACS Appl. Mater. Interfaces

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“…20 Later, the crystal structure and phase transition were thoroughly investigated by Oka. 21,22 More recently, various VO 2 (A) nanostructures have been successfully fabricated.…”

Section: -16mentioning

confidence: 99%

Synthesis and formation mechanism of VO₂(A) nanoplates with intrinsic peroxidase-like activity

et al. 2015

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Monocrystalline VO 2 (A) nanoplates have been synthesized via a one-pot hydrothermal process. In situ powder X-ray diffraction was used to monitor the hydrothermal synthesis and it was found that VO 2 (A) nucleates and grows directly from solution after the complete hydrolysis of a 2.0 M VO(acac) 2 precursor solution, rather than involving a previously reported intermediate phase VO 2 (B). A hydrating-exfoliatingsplitting mechanism was established to explain the formation of the nanoplate architecture. The synthesized VO 2 (A) nanoplates showed outstanding peroxidase-like activity and hence are a promising candidate for artificial peroxidase.

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“…A high pressure metallic phase even has been reported in other member V 2 O 3 of the vanadium oxide family [29]. Besides M1 phase, VO 2 also exhibits other polymorphs at ambient condition, VO 2 (A) is another metastable octahedrally coordinated phase, composed of edge and cornersharing VO 6 octahedra [30] which is quite different from M1 and R phase and the transformation from this structure to R is not reversible by changing temperature [31].…”

Section: Introductionmentioning

confidence: 96%

Pressure-induced metallization and amorphization inVO2(A)nanorods

Cheng

Zhang

et al. 2016

Phys. Rev. B

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Pressure-induced metallization and amorphization in VO 2 (A) nanorods. Physics, 93(18) nanorods is demonstrated, which provides important physical foundation in experimental understanding of MIT in VO 2 . The observed tetragonal metallic state at ∼28 GPa should be interpreted as a distinct metastable state, while increasing pressure to ∼32 GPa, it transforms into a metallic amorphous state completely. The metallization is due to V 3d orbital electrons delocalization, and the amorphization is attributed to the unique variation of V-O-V bond angle. A metallic amorphous VO 2 state is found under pressure, which is beneficial to explore the phase diagram of VO 2 . Furthermore, this work proves the occurrence of both the metallization and amorphization in octahedrally coordinated materials. Physical Review B. Condensed Matter and Materials

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Étude hydrothermale du système VO2-VO2,5-H2O

Cited by 80 publications

References 32 publications

Computational Approach for Epitaxial Polymorph Stabilization through Substrate Selection

Computational Approach for Epitaxial Polymorph Stabilization through Substrate Selection

Synthesis and formation mechanism of VO₂(A) nanoplates with intrinsic peroxidase-like activity

Pressure-induced metallization and amorphization inVO2(A)nanorods

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Étude hydrothermale du système VO2-VO2,5-H2O

Cited by 80 publications

References 32 publications

Computational Approach for Epitaxial Polymorph Stabilization through Substrate Selection

Computational Approach for Epitaxial Polymorph Stabilization through Substrate Selection

Synthesis and formation mechanism of VO2(A) nanoplates with intrinsic peroxidase-like activity

Pressure-induced metallization and amorphization inVO2(A)nanorods

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Product

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Synthesis and formation mechanism of VO₂(A) nanoplates with intrinsic peroxidase-like activity