Wide-gap metal oxide nanocomposites with fractal-percolation structure for chemoresistive-type adsorption sensors

2019 ◽  
Author(s):  
I. A. Pronin ◽  
I. A. Averin ◽  
N. D. Yakushova ◽  
V. A. Moshnikov ◽  
B. V. Donkova ◽  
...  
Author(s):  
Keith P. McKenna ◽  
Alexander L. Shluger

Electron and hole trapping by grain boundaries and dislocations in polycrystalline materials is important for wide ranging technological applications such as solar cells, microelectronics, photo-catalysts and rechargeable batteries. In this article, we first give an overview of the computational and methodological challenges involved in modelling such effects. This is followed by a discussion of two recent studies we have made on electron/hole trapping in wide gap insulators. The results suggest that such effects can be important for many applications which we discuss. These computationally demanding calculations have made extensive use of both the HPCx and HECToR services.


2021 ◽  
Vol 22 (19) ◽  
pp. 10521
Author(s):  
Irina Kononova ◽  
Pavel Kononov ◽  
Vyacheslav Moshnikov ◽  
Sergey Ignat’ev

It was developed a new technique to assess micro- and mesopores with sizes below a few nanometers. The porous materials with hierarchical fractal-percolation structure were obtained with the sol-gel method. The tetraethoxysilane hydrolysis and polycondensation reactions were performed in the presence of salts as the sources of metal oxides. The porous materials were obtained under spinodal decomposition conditions during application of the polymer sol to the substrate surface and thermal treatment of the structures. The model is based on an enhanced Kepler net of the 4612 type with hexagonal cells filled with a quasi-two-dimensional projection of the Jullien fractal after the 2nd iteration. The materials obtained with the sol-gel method were studied using the atomic force microscopy, electron microscopy, thermal desorption, as well as an AutoCAD 2022 computer simulation of the percolation transition in a two-component system using the proposed multimodal model. Based on the results obtained, a new method was suggested to assess micro- and mesopores with sizes below a few nanometrs, which cannot be analyzed using the atomic force microscopy and electron microscopy.


Author(s):  
R.A. Ploc

The manner in which ZrO2 forms on zirconium at 300°C in air has been discussed in the first reference. In short, monoclinic zirconia nucleates and grows with a preferred orientation relative to the metal substrate. The mode of growth is not well understood since an epitaxial relationship which gives minimum misfit between the zirconium ions in the metal/oxide combination is not realized. The reason may be associated with a thin cubic or tetragonal layer of ZrO2 between the inner oxygen saturated metal and the outer monoclinic zirconia.


Nanoscale ◽  
2020 ◽  
Vol 12 (15) ◽  
pp. 8065-8094 ◽  
Author(s):  
Xudong Wen ◽  
Jingqi Guan

Different kinds of electrocatalysts used in NRR electrocatalysis (including single atom catalysts, metal oxide catalysts, nanocomposite catalysts, and metal free catalysts) are introduced.


1999 ◽  
Vol 09 (PR8) ◽  
pp. Pr8-65-Pr8-72 ◽  
Author(s):  
A. E. Turgambaeva ◽  
V. V. Krisyuk ◽  
A. F. Bykov ◽  
I. K. Igumenov
Keyword(s):  

1985 ◽  
Vol 46 (C4) ◽  
pp. C4-135-C4-140 ◽  
Author(s):  
M. Leseur ◽  
B. Pieraggi

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