Critical size and anomalous lattice expansion in nanocrystalline<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">BaTiO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>particles

Tsunekawa, Shin; Ito, Sumiyo; Mori, Takayuki; Ishikawa, Kenji; Li, Z.-Q.; Kawazoe, Yoshiyuki

doi:10.1103/physrevb.62.3065

Cited by 131 publications

(96 citation statements)

References 22 publications

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“…Such contraction redistributes surface charge and affects electrostatic bonding. In nanoparticles the diameters of the particles are small enough that contraction effects can propagate through the entire particle and alter the cell dimensions (Tsunekawa et al, 2000a). This effect will alter the bulk energy of the nanoparticle and other thermodynamic properties, and can be a factor in phase transformations.…”

Section: Surface Contraction or Expansionmentioning

confidence: 99%

“…This is a complex issue encompassing many factors. For example, oxide nanocrystals may possess contracted or expanded surface layers compared to bulk phases (Cheng et al, 1993;Tsunekawa et al, 2000aTsunekawa et al, , 2000b, they may have surface stoichiometry different from larger crystallites, the surfaces may be corrugated or otherwise reorganized to reduce the effects of enhanced ''curvature'' (perhaps creating new types of surface ''sites'' or a higher proportion of edge/corner/step site locations), and there can be enhanced structural disorder at the surface Gilbert et al, 2004). The redox potential of surface Fe on nanoparticles may be size-dependent, or there may be a change in proton-affinity of a coordinating oxygen atom (Boily et al, 2001).…”

Section: Introductionmentioning

confidence: 99%

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Nanoparticulate Iron Oxide Minerals in Soils and Sediments: Unique Properties and Contaminant Scavenging Mechanisms

2005

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Nanoparticulate goethite, akaganeite, hematite, ferrihydrite and schwertmannite are important constituents of soils, sediments and mine drainage outflows. These minerals have high sorption capacities for metal and anionic contaminants such as arsenic, chromium, lead, mercury and selenium. Contaminant sequestration is accomplished mainly by surface complexation, but aggregation of particles may encapsulate sorbed surface species into the multigrain interior interfaces, with significant consequences for contaminant dispersal or remediation processes. Particularly for particle sizes on the order of 1-10 nm, the sorption capacity and surface molecular structure also may differ in important ways from bulk material. We review the factors affecting geochemical reactivity of these nanophases, focusing on the ways they may remove toxins from the environment, and include recent results of studies on nanogoethite growth, aggregation and sorption processes.

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Section: Surface Contraction or Expansionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Nanoparticulate Iron Oxide Minerals in Soils and Sediments: Unique Properties and Contaminant Scavenging Mechanisms

2005

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“…Another possible reason is an intrinsic effect attributed to the size of the crystalline particles. Tsunekawa et al 18) reported that a BaTiO 3 lattice would expand in order to increase the ionicity of the TiO bond as their particle size decreased to less than about 15 nm. Perebeinosa et al 19) pointed out that such expansion occurs as a result of the negative pressure created by the disconnection of the attractive Madelung potential of the small particles (< 20 nm approx.).…”

Section: Resultsmentioning

confidence: 99%

Characterization of barium titanate nanoparticles and dense nanograin free-standing films via sol-gel method using highly concentrated alkoxide solution

Shimooka

Kohiki

Kuwabara

2010

J. Ceram. Soc. Japan

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This paper reports on two topics regarding nanosized barium titanate (BaTiO 3 ) prepared by the solgel method using a highly concentrated alkoxides precursor solution. One topic concerns the crystallographic features of the BaTiO 3 nanoparticles. In the case of using a highly concentrated precursor solution, non-coreshell BaTiO 3 nanocrystals with a small amount of intraparticle voids, lattice hydroxyl groups and remaining alkoxy groups were efficiently generated by the addition of less excess water during aging at room temperature. The generation of the high-quality BaTiO 3 nanocrystals is considered to be due to the hydrolysis and polycondensation reaction of the alkoxides being well promoted in such a concentrated solution. The lattice volume of the BaTiO 3 nanocrystals with a crystallite size of 15 nm fired at 600°C was approximately 1 vol % larger than that of bulk crystal. This lattice expansion is more likely to be caused by an intrinsic size effect than an extrinsic effect due to the lattice defects, such as lattice hydroxyl groups. The other topic concerns the dielectric properties of dense nanograin free-standing films with a grain size of 57 nm after applying the same solgel method. Significant frequency dispersion behavior of dissipation factor was observed at temperatures less than the Curie temperature. This finding may indicate that the dielectric properties reflect an intrinsic grain size effect without any influence being attributed to the film/substrate interface or lattice defects.

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“…202 On the other hand, too small grain size leads to suppression of ferroelectricity due to diminished non-cubic distortions. [205][206][207] Moreover, domains also become unfavorable at small grain sizes since is compensated by interface charges at grain boundaries and/or polarization gradients. 207 This leads initially to a single domain state, followed by complete suppression of the ferroelectric state as grain size is further reduced.…”

Section: Grain and Domain Engineeringmentioning

confidence: 99%

“…208 For PbTiO 3 the critical grain size to induce a paraelectric state is between 4 nm and 20 nm 209,210 , while for BT it is between 10 nm and 100 nm. [205][206][207] BT has maximized properties at grain sizes between 1 μm and 2 μm. 203,204 Optimization of grain size leads in general to higher ´, lower , decreased , and increased 33 , and 33 * .…”

Section: Grain and Domain Engineeringmentioning

confidence: 99%

Strain Mechanisms in Lead-Free Ferroelectrics for Actuators

Acosta

2016

Springer Theses

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Critical size and anomalous lattice expansion in nanocrystallineBaTiO3particles

Cited by 131 publications

References 22 publications

Nanoparticulate Iron Oxide Minerals in Soils and Sediments: Unique Properties and Contaminant Scavenging Mechanisms

Nanoparticulate Iron Oxide Minerals in Soils and Sediments: Unique Properties and Contaminant Scavenging Mechanisms

Characterization of barium titanate nanoparticles and dense nanograin free-standing films via sol-gel method using highly concentrated alkoxide solution

Strain Mechanisms in Lead-Free Ferroelectrics for Actuators

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