Photocatalytic reactivity of {121} and {211} facets of brookite TiO2 crystals

2015 ◽  
Vol 3 (5) ◽  
pp. 2331-2337 ◽  
Author(s):  
Ming Zhao ◽  
Hua Xu ◽  
Hungru Chen ◽  
Shuxin Ouyang ◽  
Naoto Umezawa ◽  
...  
Keyword(s):  
Band Structure ◽  
Atomic Structure ◽  
Photocatalytic Oxidation ◽  
Electronic Band Structure ◽  
Photocatalytic Reduction ◽  
Electronic Band

Combining the surface atomic structure and electronic band structure, it is suggested that, for brookite TiO2, the {121} surface is beneficial for photocatalytic oxidation and the {211} surface can facilitate photocatalytic reduction.

The electronic band structure of silicon

Physica ◽  
1954 ◽  
Vol 3 (7-12) ◽  
pp. 967-970
Author(s):  
D JENKINS
Keyword(s):  
Band Structure ◽  
Electronic Band Structure ◽  
Electronic Band

THE ELECTRONIC BAND STRUCTURE OF V3Ga AND V3Si

1972 ◽  
Vol 33 (C3) ◽  
pp. C3-223-C3-233 ◽  
Author(s):  
I. B. GOLDBERG ◽  
M. WEGER
Keyword(s):  
Band Structure ◽  
Electronic Band Structure ◽  
Electronic Band

Ab initio calculation on the Optical Properties of AA- Stacked two dimensional Graphene, Silicene, Germanene, and Stanene

2018 ◽  
Vol 1 (1) ◽  
pp. 46-50
Author(s):  
Rita John ◽  
Benita Merlin
Keyword(s):  
Optical Properties ◽  
Band Structure ◽  
Density Functional ◽  
Electronic Band Structure ◽  
Complex Refractive Index ◽  
Single Layer ◽  
Generalized Gradient ◽  
Electronic Band ◽  
Wide Range ◽  
Optical Region

In this study, we have analyzed the electronic band structure and optical properties of AA-stacked bilayer graphene and its 2D analogues and compared the results with single layers. The calculations have been done using Density Functional Theory with Generalized Gradient Approximation as exchange correlation potential as in CASTEP. The study on electronic band structure shows the splitting of valence and conduction bands. A band gap of 0.342eV in graphene and an infinitesimally small gap in other 2D materials are generated. Similar to a single layer, AA-stacked bilayer materials also exhibit excellent optical properties throughout the optical region from infrared to ultraviolet. Optical properties are studied along both parallel (||) and perpendicular ( ) polarization directions. The complex dielectric function (ε) and the complex refractive index (N) are calculated. The calculated values of ε and N enable us to analyze optical absorption, reflectivity, conductivity, and the electron loss function. Inferences from the study of optical properties are presented. In general the optical properties are found to be enhanced compared to its corresponding single layer. The further study brings out greater inferences towards their direct application in the optical industry through a wide range of the optical spectrum.

scholarly journals Electronic Band Structure and Transport Properties of the Cluster Compound Ag3Tl2Mo15Se19

2019 ◽  
Vol 58 (9) ◽  
pp. 5533-5542 ◽  
Author(s):  
Patrick Gougeon ◽  
Philippe Gall ◽  
Rabih Al Rahal Al Orabi ◽  
Benoit Boucher ◽  
Bruno Fontaine ◽  
...  
Keyword(s):  
Band Structure ◽  
Transport Properties ◽  
Electronic Band Structure ◽  
Cluster Compound ◽  
Electronic Band
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