Shape effects in the interaction between an edge dislocation and an elliptical inhomogeneity

1983 ◽  
Vol 30 (4) ◽  
pp. 217-221 ◽  
Author(s):  
L. Stagni ◽  
R. Lizzio
Keyword(s):  
Edge Dislocation ◽  
Elliptical Inhomogeneity ◽  
Shape Effects

Multislice calculations for quasi-periodic and non-periodic objects

1990 ◽  
Vol 48 (4) ◽  
pp. 138-139
Author(s):  
R. Herrera ◽  
A. Gómez
Keyword(s):  
Electron Diffraction ◽  
Computer Simulations ◽  
Periodic Table ◽  
Amorphous Materials ◽  
Space Group ◽  
Essential Step ◽  
Shape Effects ◽  
Atomic Scattering ◽  
Diffraction Patterns ◽  
Periodic Continuation

Computer simulations of electron diffraction patterns and images are an essential step in the process of structure and/or defect elucidation. So far most programs are designed to deal specifically with crystals, requiring frequently the space group as imput parameter. In such programs the deviations from perfect periodicity are dealt with by means of “periodic continuation”.However, for many applications involving amorphous materials, quasiperiodic materials or simply crystals with defects (including finite shape effects) it is convenient to have an algorithm capable of handling non-periodicity. Our program “HeGo” is an implementation of the well known multislice equations in which no periodicity assumption is made whatsoever. The salient features of our implementation are: 1) We made Gaussian fits to the atomic scattering factors for electrons covering the whole periodic table and the ranges [0-2]Å−1 and [2-6]Å−1.

scholarly journals Shape Effects of Ceria Nanoparticles on the Water‒Gas Shift Performance of CuOx/CeO2 Catalysts

Catalysts ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 753
Author(s):  
Maria Lykaki ◽  
Sofia Stefa ◽  
Sónia A. C. Carabineiro ◽  
Miguel A. Soria ◽  
Luís M. Madeira ◽  
...  
Keyword(s):  
Low Cost ◽  
Catalytic Performance ◽  
Fine Tuning ◽  
Water Gas Shift ◽  
Oxygen Species ◽  
Ceria Nanoparticles ◽  
Ceo2 Sample ◽  
Equilibrium Conversion ◽  
Shape Effects ◽  
Water Gas

The copper–ceria (CuOx/CeO2) system has been extensively investigated in several catalytic processes, given its distinctive properties and considerable low cost compared to noble metal-based catalysts. The fine-tuning of key parameters, e.g., the particle size and shape of individual counterparts, can significantly affect the physicochemical properties and subsequently the catalytic performance of the binary oxide. To this end, the present work focuses on the morphology effects of ceria nanoparticles, i.e., nanopolyhedra (P), nanocubes (C), and nanorods (R), on the water–gas shift (WGS) performance of CuOx/CeO2 catalysts. Various characterization techniques were employed to unveil the effect of shape on the structural, redox and surface properties. According to the acquired results, the support morphology affects to a different extent the reducibility and mobility of oxygen species, following the trend: R > P > C. This consequently influences copper–ceria interactions and the stabilization of partially reduced copper species (Cu+) through the Cu2+/Cu+ and Ce4+/Ce3+ redox cycles. Regarding the WGS performance, bare ceria supports exhibit no activity, while the addition of copper to the different ceria nanostructures alters significantly this behaviour. The CuOx/CeO2 sample of rod-like morphology demonstrates the best catalytic activity and stability, approaching the thermodynamic equilibrium conversion at 350 °C. The greater abundance in loosely bound oxygen species, oxygen vacancies and highly dispersed Cu+ species can be mainly accounted for its superior catalytic performance.

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