Computer simulation of the adsorption of argon on the surface of titanium dioxide. 2. Amorphous surface

Langmuir ◽  
1992 ◽  
Vol 8 (5) ◽  
pp. 1379-1384 ◽  
Author(s):  
V. A. Bakaev ◽  
W. A. Steele
Keyword(s):  
Computer Simulation ◽  
Titanium Dioxide ◽  
Amorphous Surface

scholarly journals Black Titanium Dioxide Nanomaterials in Photocatalysis

2017 ◽  
Vol 2017 ◽  
pp. 1-16 ◽  
Author(s):  
Xiaodong Yan ◽  
Yong Li ◽  
Ting Xia
Keyword(s):  
Titanium Dioxide ◽  
Visible Spectrum ◽  
Photocatalytic Efficiency ◽  
Structure Property ◽  
Preparation Methods ◽  
Practical Applications ◽  
Optical And Electronic Properties ◽  
Amorphous Surface ◽  
Structure Engineering ◽  
Black Color

Titanium dioxide (TiO2) nanomaterials are widely considered to be state-of-the-art photocatalysts for environmental protection and energy conversion. However, the low photocatalytic efficiency caused by large bandgap and rapid recombination of photo-excited electrons and holes is a challenging issue that needs to be settled for their practical applications. Structure engineering has been demonstrated to be a highly promising approach to engineer the optical and electronic properties of the existing materials or even endow them with unexpected properties. Surface structure engineering has witnessed the breakthrough in increasing the photocatalytic efficiency of TiO2 nanomaterials by creating a defect-rich or amorphous surface layer with black color and extension of optical absorption to the whole visible spectrum, along with markedly enhanced photocatalytic activities. In this review, the recent progress in the development of black TiO2 nanomaterials is reviewed to gain a better understanding of the structure-property relationship with the consideration of preparation methods and to project new insights into the future development of black TiO2 nanomaterials in photocatalytic applications.

Research on Computer Simulation in Titanium Dioxide Photocatalytic Experiment

2014 ◽  
Vol 1049-1050 ◽  
pp. 64-68
Author(s):  
Xiao Bo Zhao
Keyword(s):  
Computer Simulation ◽  
Titanium Dioxide ◽  
Mutual Effect ◽  
Basic Structure ◽  
Main Method ◽  
Theoretical Simulation ◽  
Authentic Material ◽  
Catalytic Experiment

experiment is the basis of research on titanium dioxide (TiO2) photocatalysis. However, the proceeding of experiment need consume large amount of time, finance and vigor. Computer simulation realizes the mutual effect with outside by system of computer simulating authentic material, which can reduce unnecessary consumption. Computer simulation application provides new tool for TiO2 catalytic experiment and improve the efficiency. This paper summarized the basic structure of TiO2 as well as the mechanism and process of photocatalysis, introduced the main method and relative software of theoretical simulation mathematics, and summarized the advantage of computer simulation in micro field based on the limitation of experiment.

TEM studies of amorphization processes and amorphous structures

1988 ◽  
Vol 46 ◽  
pp. 448-449
Author(s):  
T. E. Mitchell ◽  
R. B. Schwarz
Keyword(s):  
Amorphous Materials ◽  
Fission Products ◽  
Rapid Quenching ◽  
Surface Films ◽  
List Type ◽  
Oxide Glasses ◽  
Crystalline Materials ◽  
Amorphous Structures ◽  
Amorphous Surface ◽  
Interfacial Films

Traditional oxide glasses occur naturally as obsidian and can be made easily by suitable cooling histories. In the past 30 years, a variety of techniques have been discovered which amorphize normally crystalline materials such as metals. These include [1-3]:Rapid quenching from the vapor phase.Rapid quenching from the liquid phase.Electrodeposition of certain alloys, e.g. Fe-P.Oxidation of crystals to produce amorphous surface oxide layers.Interdiffusion of two pure crystalline metals.Hydrogen-induced vitrification of an intermetal1ic.Mechanical alloying and ball-milling of intermetal lie compounds.Irradiation processes of all kinds using ions, electrons, neutrons, and fission products.We offer here some general comments on the use of TEM to study these materials and give some particular examples of such studies.Thin specimens can be prepared from bulk homogeneous materials in the usual way. Most often, however, amorphous materials are in the form of surface films or interfacial films with different chemistry from the substrates.

Quantitative energy-filtered electron diffraction

1994 ◽  
Vol 52 ◽  
pp. 992-993
Author(s):  
R. Vincent
Keyword(s):  
Electron Diffraction ◽  
Inelastic Scattering ◽  
Dynamic Range ◽  
Electron Optics ◽  
Surface Layers ◽  
High Brightness ◽  
Inclined Surfaces ◽  
Perfect Symmetry ◽  
Amorphous Surface ◽  
The Ideal

Microanalysis and diffraction on a sub-nanometre scale have become practical in modern TEMs due to the high brightness of field emission sources combined with the short mean free paths associated with both elastic and inelastic scattering of incident electrons by the specimen. However, development of electron diffraction as a quantitative discipline has been limited by the absence of any generalised theory for dynamical inelastic scattering. These problems have been simplified by recent innovations, principally the introduction of spectrometers such as the Gatan imaging filter (GIF) and the Zeiss omega filter, which remove the inelastic electrons, combined with annual improvements in the speed of computer workstations and the availability of solid-state detectors with high resolution, sensitivity and dynamic range.Comparison of experimental data with dynamical calculations imposes stringent requirements on the specimen and the electron optics, even when the inelastic component has been removed. For example, no experimental CBED pattern ever has perfect symmetry, departures from the ideal being attributable to residual strain, thickness averaging, inclined surfaces, incomplete cells and amorphous surface layers.

Characterization of Modulated Structure Through Structure Images and their Computer Simulation

1990 ◽  
Vol 48 (1) ◽  
pp. 70-71
Author(s):  
Kiyomichi Nakai ◽  
Yusuke Isobe ◽  
Chiken Kinoshita ◽  
Kazutoshi Shinohara
Keyword(s):  
Computer Simulation ◽  
High Resolution ◽  
Spherical Aberration ◽  
High Resolution Electron Microscopy ◽  
Basic Mechanism ◽  
Objective Lens ◽  
Specimen Thickness ◽  
Transmitted Beam ◽  
Modulated Structure ◽  
Resolution Electron

Induced spinodal decomposition under electron irradiation in a Ni-Au alloy has been investigated with respect to its basic mechanism and confirmed to be caused by the relaxation of coherent strain associated with modulated structure. Modulation of white-dots on structure images of modulated structure due to high-resolution electron microscopy is reduced with irradiation. In this paper the atom arrangement of the modulated structure is confirmed with computer simulation on the structure images, and the relaxation of the coherent strain is concluded to be due to the reduction of phase-modulation.Structure images of three-dimensional modulated structure along <100> were taken with the JEM-4000EX high-resolution electron microscope at the HVEM Laboratory, Kyushu University. The transmitted beam and four 200 reflections with their satellites from the modulated structure in an fee Ni-30.0at%Au alloy under illumination of 400keV electrons were used for the structure images under a condition of the spherical aberration constant of the objective lens, Cs = 1mm, the divergence of the beam, α = 3 × 10-4 rad, underfocus, Δf ≃ -50nm and specimen thickness, t ≃ 15nm. The CIHRTEM code was used for the simulation of the structure image.

Averting robo-bees: why free-flying robotic bees are a bad idea

2019 ◽  
Vol 3 (6) ◽  
pp. 723-729
Author(s):  
Roslyn Gleadow ◽  
Jim Hanan ◽  
Alan Dorin
Keyword(s):  
Climate Change ◽  
Computer Simulation ◽  
Food Security ◽  
European Countries ◽  
Plant Interactions ◽  
Plant Insect Interactions ◽  
Native Habitat ◽  
Insect Pollinators ◽  
Insect Interactions

Food security and the sustainability of native ecosystems depends on plant-insect interactions in countless ways. Recently reported rapid and immense declines in insect numbers due to climate change, the use of pesticides and herbicides, the introduction of agricultural monocultures, and the destruction of insect native habitat, are all potential contributors to this grave situation. Some researchers are working towards a future where natural insect pollinators might be replaced with free-flying robotic bees, an ecologically problematic proposal. We argue instead that creating environments that are friendly to bees and exploring the use of other species for pollination and bio-control, particularly in non-European countries, are more ecologically sound approaches. The computer simulation of insect-plant interactions is a far more measured application of technology that may assist in managing, or averting, ‘Insect Armageddon' from both practical and ethical viewpoints.

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