scholarly journals Ab initio modelling of local interfaces in doped organic semiconductors

2020 ◽  
Vol 22 (6) ◽  
pp. 3527-3538 ◽  
Author(s):  
Ana M. Valencia ◽  
Michele Guerrini ◽  
Caterina Cocchi
Keyword(s):  
Optical Properties ◽  
Ab Initio ◽  
Organic Semiconductors ◽  
Electronic And Optical Properties ◽  
Interface Structures

Local interface structures affect the ab initio modelling of the electronic and optical properties of doped organic semiconductors.

Direct Laser Cooling Schemes for the Triatomic SOH and SeOH Molecules Based on Ab Initio Electronic Properties

2020 ◽  
Author(s):  
Li Liu ◽  
Chuan-Lu Yang ◽  
Zhaopeng Sun ◽  
Meishan Wang ◽  
Xiano-Guang Ma
Keyword(s):  
Optical Properties ◽  
Ab Initio ◽  
Electronic Properties ◽  
Laser Cooling ◽  
Promising Method ◽  
Optical Scheme ◽  
Electronic And Optical Properties ◽  
Cold Molecules ◽  
Direct Laser

The direct laser cooling is a very promising method to obtain cold molecules for various applications. However, a molecule with satisfactory electronic and optical properties for the optical scheme is...

scholarly journals Electronic and Optical Properties of Rare Earth Oxides: <i>Ab Initio</i> Calculation

2015 ◽  
Vol 05 (02) ◽  
pp. 78-85 ◽  
Author(s):  
Sezen Horoz ◽  
Sevket Simsek ◽  
Selami Palaz ◽  
Amirullah M. Mamedov
Keyword(s):  
Optical Properties ◽  
Rare Earth ◽  
Ab Initio ◽  
Rare Earth Oxides ◽  
Electronic And Optical Properties

Ab initio study of electronic and optical properties of Fe doped anatase TiO2 (1 0 1) surface

2017 ◽  
Vol 1120 ◽  
pp. 17-23 ◽  
Author(s):  
Dragan Toprek ◽  
Vasil Koteski ◽  
Jelena Belošević-Čavor ◽  
Valentin Ivanovski ◽  
Ana Umićević
Keyword(s):  
Optical Properties ◽  
Ab Initio ◽  
Anatase Tio2 ◽  
Ab Initio Study ◽  
Electronic And Optical Properties

Electronic and optical properties of graphene-like InAs: An ab initio study

2018 ◽  
Vol 133 (3) ◽  
Author(s):  
Leila Sohrabi ◽  
Arash Boochani ◽  
S. Ali Sebt ◽  
S. Mohammad Elahi
Keyword(s):  
Optical Properties ◽  
Ab Initio ◽  
Ab Initio Study ◽  
Electronic And Optical Properties

Structural, electronic, and optical properties and bond stiffness of ScAl3C3-type LaCd3P3 phases: ab initio calculations

2019 ◽  
Vol 134 ◽  
pp. 115-120 ◽  
Author(s):  
Shiquan Feng ◽  
Jianling Zhao ◽  
Yang Yang ◽  
Xuerui Cheng ◽  
Chaosheng Yuan ◽  
...  
Keyword(s):  
Optical Properties ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electronic And Optical Properties
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