scholarly journals Experimental and theoretical investigations of the electronic band structure of metal-organic frameworks of HKUST-1 type

2015 ◽  
Vol 107 (18) ◽  
pp. 183301 ◽  
Author(s):  
Zhi-Gang Gu ◽  
Lars Heinke ◽  
Christof Wöll ◽  
Tobias Neumann ◽  
Wolfgang Wenzel ◽  
...  
Keyword(s):  
Band Structure ◽  
Electronic Band Structure ◽  
Metal Organic Frameworks ◽  
Electronic Band ◽  
Structure Of Metal ◽  
Theoretical Investigations ◽  
Metal Organic

Trace of molecular doping in metal–organic frameworks: drastic change in the electronic band structure with a preserved topology and porosity

2020 ◽  
Vol 8 (25) ◽  
pp. 12370-12377
Author(s):  
Hai-Xiong Liu ◽  
Ting-Ting Liu ◽  
Tao Huang ◽  
Zhi-Bin Fang ◽  
Lan Li ◽  
...  
Keyword(s):  
Band Structure ◽  
Band Gap ◽  
Potential Application ◽  
Electronic Band Structure ◽  
Metal Organic Frameworks ◽  
General Strategy ◽  
Electronic Band ◽  
Metal Organic ◽  
Molecular Doping ◽  
Application Scope

The band gap of MOFs was engineered through molecular doping. The new method is applicable to various types of MOFs and dopants, presenting an easy and general strategy to broaden the potential application scope of MOF materials.

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.

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