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2003
DOI: 10.1016/s0079-6425(03)00010-0
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Oxidation electronics: bond–band–barrier correlation and its applications

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Cited by 215 publications
(175 citation statements)
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References 537 publications
(691 reference statements)
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“…63 The quantum effect is a crucial attribute of a nanoscale system since the dangling bonds on the free surface of nanomaterials would induce obvious variations in atoms besides the bond length change. 52 However, such an effect at atomic scales is difficult to be characterized by continuum approaches and MD simulations. Further investigations on the mechanical behavior of nanomaterials need to consider quantum effects.…”
Section: Resultsmentioning
confidence: 99%
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“…63 The quantum effect is a crucial attribute of a nanoscale system since the dangling bonds on the free surface of nanomaterials would induce obvious variations in atoms besides the bond length change. 52 However, such an effect at atomic scales is difficult to be characterized by continuum approaches and MD simulations. Further investigations on the mechanical behavior of nanomaterials need to consider quantum effects.…”
Section: Resultsmentioning
confidence: 99%
“…The Lagrangian surface energy density / 0 in the reference configuration can be divided into a structural part / stru 0 related to the surface strain energy and a chemical part / chem 0 originating from the surface dangling-bond energy, 43,52,53 …”
Section: -2mentioning
confidence: 99%
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“…They predicted that the smaller the particle size is, the larger lattice contraction would be. 15 Therefore, the lattice contraction for nanoparticles in our result may lead to the decrease of magnetic anisotropy constant and the relatively lower value of coercivity compared with continuous or granular structure.…”
Section: Methodsmentioning
confidence: 69%
“…The significant decrease of the coercivity can be explained as the particle size reduction with increasing the TiN content. Sun et al [15][16][17] reported the lattice contracts due to the imperfection in coordination number at the surface or interface of the nanoscale particles. They predicted that the smaller the particle size is, the larger lattice contraction would be.…”
Section: Methodsmentioning
confidence: 99%