2007
DOI: 10.1021/jp0676437
|View full text |Cite
|
Sign up to set email alerts
|

Special Interfaces of ZrO2 Nanocrystals

Abstract: Lattice images by transmission electron microscopy (TEM) were used to find new interfaces formed between c-and/or t-ZrO 2 nanocrystals. The ZrO 2 nanocrystals, prepared by ion-beam sputtering on a NaCl (100) plane, coalesced to form a straight {220}/{200} interface and a stepped {200}/{111} interface with misfit dislocations. The former is characterized by a good match of O 2-lattice sites and smooth joining of low index planes across it without mismatch and dislocation. The special interfaces are applicable t… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
1
1
1
1

Citation Types

4
55
0

Year Published

2007
2007
2020
2020

Publication Types

Select...
7

Relationship

0
7

Authors

Journals

citations
Cited by 36 publications
(59 citation statements)
references
References 20 publications
4
55
0
Order By: Relevance
“…The force field employed was that which had been optimized by us earlier to reproduce the crystalline phases of resorcinol. [24] The electrostatic forces were evaluated using a pseudo-two-dimensional version [25] of particle-mesh Ewald summation at a precision of 10 À5 to eliminate the interaction of the slab with its periodic images. The dimensions of our simulation cell were typically 4.3 4.5 20.8 nm 3 (x y z).…”
Section: Methodsmentioning
confidence: 99%
“…The force field employed was that which had been optimized by us earlier to reproduce the crystalline phases of resorcinol. [24] The electrostatic forces were evaluated using a pseudo-two-dimensional version [25] of particle-mesh Ewald summation at a precision of 10 À5 to eliminate the interaction of the slab with its periodic images. The dimensions of our simulation cell were typically 4.3 4.5 20.8 nm 3 (x y z).…”
Section: Methodsmentioning
confidence: 99%
“…In addition, a correction term is also added to the modified PPPM method. 30 The system temperature is controlled by a dissipative particle dynamics thermostat 31,32 with the friction coefficient c ¼ 1.5s À1 and the desired temperature T ¼ 1.2T * . Periodic boundary conditions are applied along x and y directions.…”
Section: Molecular Dynamics Simulationsmentioning
confidence: 99%
“…Interaction among the ions and the electrode atoms was described by conventional pairwise Lennard-Jones (LJ) and electrostatic Coulomb potentials. [37] The electrostatic interactions were evaluated by the particleparticle particle mesh (PPPM) Ewald method [42] with the Ewald surface terms [43,44] for modeling a pseudo-two-dimensional system. A cutoff distance of 10 Å was used for both electrostatic interactions in the real space and the nonelectrostatic interactions.…”
Section: Computational Detailsmentioning
confidence: 99%