scholarly journals An Insight into Geometries and Catalytic Applications of CeO2 from a DFT Outlook

Molecules ◽  
2021 ◽  
Vol 26 (21) ◽  
pp. 6485
Author(s):  
Hussein A. Miran ◽  
Zainab N. Jaf ◽  
Mohammednoor Altarawneh ◽  
Zhong-Tao Jiang

Rare earth metal oxides (REMOs) have gained considerable attention in recent years owing to their distinctive properties and potential applications in electronic devices and catalysts. Particularly, cerium dioxide (CeO2), also known as ceria, has emerged as an interesting material in a wide variety of industrial, technological, and medical applications. Ceria can be synthesized with various morphologies, including rods, cubes, wires, tubes, and spheres. This comprehensive review offers valuable perceptions into the crystal structure, fundamental properties, and reaction mechanisms that govern the well-established surface-assisted reactions over ceria. The activity, selectivity, and stability of ceria, either as a stand-alone catalyst or as supports for other metals, are frequently ascribed to its strong interactions with the adsorbates and its facile redox cycle. Doping of ceria with transition metals is a common strategy to modify the characteristics and to fine-tune its reactive properties. DFT-derived chemical mechanisms are surveyed and presented in light of pertinent experimental findings. Finally, the effect of surface termination on catalysis by ceria is also highlighted.

Author(s):  
Alexey V. Kavokin ◽  
Jeremy J. Baumberg ◽  
Guillaume Malpuech ◽  
Fabrice P. Laussy

Both rich fundamental physics of microcavities and their intriguing potential applications are addressed in this book, oriented to undergraduate and postgraduate students as well as to physicists and engineers. We describe the essential steps of development of the physics of microcavities in their chronological order. We show how different types of structures combining optical and electronic confinement have come into play and were used to realize first weak and later strong light–matter coupling regimes. We discuss photonic crystals, microspheres, pillars and other types of artificial optical cavities with embedded semiconductor quantum wells, wires and dots. We present the most striking experimental findings of the recent two decades in the optics of semiconductor quantum structures. We address the fundamental physics and applications of superposition light-matter quasiparticles: exciton-polaritons and describe the most essential phenomena of modern Polaritonics: Physics of the Liquid Light. The book is intended as a working manual for advanced or graduate students and new researchers in the field.


ChemTexts ◽  
2021 ◽  
Vol 7 (2) ◽  
Author(s):  
Gudrun Scholz

Abstract This lecture text is focused on the comparatively young field of mechanochemistry of fluoride solids, considering both their mechanical activation and their mechanochemical synthesis. Beside a literature survey, the mechanochemical synthesis of binary fluorides MF2, MF3, of complex fluorides MMgF4, of solid solutions MaxMb1−xF2 or M1−xLnxF2+x (Ln: Y, Eu) and of fluorine-containing coordination polymers is presented. Owing to their interesting potential applications in the field of fluoride ion conductivity or luminescence properties when doped, most of the given examples are alkaline earth metal compounds. A short historical survey, remarks on peculiarities and consequences of mechanical activation as well as the necessary technical equipment for mechanochemical reactions precede the section. Graphic abstract


Nanomaterials ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 197
Author(s):  
Giorgia Giovannini ◽  
René M. Rossi ◽  
Luciano F. Boesel

The development of hybrid materials with unique optical properties has been a challenge for the creation of high-performance composites. The improved photophysical and photochemical properties observed when fluorophores interact with clay minerals, as well as the accessibility and easy handling of such natural materials, make these nanocomposites attractive for designing novel optical hybrid materials. Here, we present a method of promoting this interaction by conjugating dyes with chitosan. The fluorescent properties of conjugated dye–montmorillonite (MMT) hybrids were similar to those of free dye–MMT hybrids. Moreover, we analyzed the relationship between the changes in optical properties of the dye interacting with clay and its structure and defined the physical and chemical mechanisms that take place upon dye–MMT interactions leading to the optical changes. Conjugation to chitosan additionally ensures stable adsorption on clay nanoplatelets due to the strong electrostatic interaction between chitosan and clay. This work thus provides a method to facilitate the design of solid-state hybrid nanomaterials relevant for potential applications in bioimaging, sensing and optical purposes.


2016 ◽  
Vol 11 (2) ◽  
Author(s):  
Sanshui Xiao ◽  
Xiaolong Zhu ◽  
Bo-Hong Li ◽  
N. Asger Mortensen

2019 ◽  
Vol 21 (17) ◽  
pp. 8785-8796 ◽  
Author(s):  
Srimanta Pakhira ◽  
Jose L. Mendoza-Cortes

Covalent-organic frameworks (COFs) have emerged as an important class of nano-porous crystalline materials with many potential applications. Here we present an strategy to control their electronic properties.


1997 ◽  
Vol 06 (04) ◽  
pp. 665-695 ◽  
Author(s):  
Philippe Collard ◽  
Cathy Escazut ◽  
Alessio Gaspar

Many real-world problems involve measures of objectives that may be dynamically optimized. The application of evolutionary algorithms, such as genetic algorithms, in time dependent optimization is currently receiving growing interest as potential applications are numerous ranging from mobile robotics to real time process command. Moreover, constant evaluation functions skew results relative to natural evolution so that it has become a promising gap to combine effectiveness and diversity in a genetic algorithm. This paper features both theoretical and empirical analysis of the behavior of genetic algorithms in such an environment. We present a comparison between the effectivenss of traditional genetic algorithm and the dual genetic algorithm which has revealed to be a particularly adaptive tool for optimizing a lot of diversified classes of functions. This comparison has been performed on a model of dynamical environments which characteristics are analyzed in order to establish the basis of a testbed for further experiments. We also discuss fundamental properties that explain the effectiveness of the dual paradigm to manage dynamical environments.


2017 ◽  
Vol 5 (39) ◽  
pp. 20534-20560 ◽  
Author(s):  
Shaodong Sun ◽  
Shuhua Liang

In this review, we highlight the significant advancements in morphological zinc stannate (ZnSnO3 and Zn2SnO4) micro/nanostructures, including synthetic strategies, fundamental properties and potential applications. Several emerging issues and prospective are also discussed.


Author(s):  
Gamal G. N. Geweid ◽  
Fartash Vasefi ◽  
Kouhyar Tavakolian

Abstract Keratinocyte Carcinoma, more traditionally known as Non-melanoma skin cancer (NMSC), is the most common cancer in humans. Incidence continues to increase despite increased public awareness of the harmful effects of solar radiation. In this paper, a non-parametric technique based on image registration will be applied to the multimode hyperspectral imaging system to segment Basal Cell Carcinoma (BCC) and Squamous cell carcinoma lesions (SCC). The aim is to enhance Mohs surgery by determining the actual borderlines of the desired area in the patient’s images, leading to increased efficiency and efficacy of the Mohs surgery. The proposed algorithm was applied to four sets of different Multimode hyperspectral Images with Non-Melanoma Skin. The experimental findings showed that the proposed algorithm is effective in Non-Melanoma skin detection. This could lead to improved image-guided excision of cancerous lesions with potential applications in robotic interventions.


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