Optical Properties of Cyclic Amine Type Dyes, and Their Electronic Band Structures with Molecular Microstructure

2009 ◽  
Vol 499 (1) ◽  
pp. 38/[360]-47/[369]
Author(s):  
Ki-Soo Kim ◽  
Yoon Soo Han ◽  
Cham Kim ◽  
Seonju Jeong ◽  
Giseop Kwak ◽  
...  
Keyword(s):  
Optical Properties ◽  
Cyclic Amine ◽  
Band Structures ◽  
Electronic Band ◽  
Electronic Band Structures

Electronic band structures and optical properties of atomically thin AuSe: first-principle calculations

2019 ◽  
Vol 40 (6) ◽  
pp. 062004 ◽  
Author(s):  
Pengxiang Bai ◽  
Shiying Guo ◽  
Shengli Zhang ◽  
Hengze Qu ◽  
Wenhan Zhou ◽  
...  
Keyword(s):  
Optical Properties ◽  
First Principle ◽  
Band Structures ◽  
Electronic Band ◽  
First Principle Calculations ◽  
Electronic Band Structures

Electronic band structures of NdFe3(BO3)4 and NdGa3(BO3)4 crystals: ab initio calculations

2021 ◽  
Vol 575 (1) ◽  
pp. 11-17
Author(s):  
S. Krylova ◽  
I. Gudim ◽  
A. Aleksandrovsky ◽  
A. Vtyurin ◽  
A. Krylov
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Band Structures ◽  
Electronic Band ◽  
Electronic Band Structures

scholarly journals Phase-selective active sites on ordered/disordered titanium dioxide enable exceptional photocatalytic ammonia synthesis

2021 ◽  
Author(s):  
Jinsun Lee ◽  
Xinghui Liu ◽  
Ashwani Kumar ◽  
Yosep Hwang ◽  
Eunji Lee ◽  
...  
Keyword(s):  
Titanium Dioxide ◽  
Active Sites ◽  
Rational Design ◽  
Ammonia Synthesis ◽  
Reduction Reaction ◽  
Band Structures ◽  
Electronic Band ◽  
Defect Sites ◽  
Electronic Band Structures ◽  
Reaction Routes

This work highlights the importance of a rational design for more energetically suitable nitrogen reduction reaction routes and mechanisms by regulating the electronic band structures with phase-selective defect sites.

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