scholarly journals First principles study of photo-oxidation degradation mechanisms in P3HT for organic solar cells

2014 ◽  
Vol 16 (17) ◽  
pp. 8092-8099 ◽  
Author(s):  
Na Sai ◽  
Kevin Leung ◽  
Judit Zádor ◽  
Graeme Henkelman
Keyword(s):  
Solar Cells ◽  
Condensed Phase ◽  
Organic Solar Cells ◽  
First Principles ◽  
Theoretical Study ◽  
Organic Polymers ◽  
Degradation Mechanisms ◽  
Photo Oxidation ◽  
First Principles Study ◽  
Oxidation Degradation

We present a theoretical study of degradation mechanisms for photoinduced oxidation in organic polymers in the condensed phase, using poly(3-hexylthiophene) (P3HT) as an example.

First-principles study of lead-free double perovskites Rb2TeX6 (X = Cl, Br, and I) for solar cells and renewable energy

2021 ◽  
Vol 266 ◽  
pp. 115064
Author(s):  
Q. Mahmood ◽  
M.H. Alhossainy ◽  
M.S. Rashid ◽  
Tahani H. Flemban ◽  
Hind Althib ◽  
...  
Keyword(s):  
Renewable Energy ◽  
Solar Cells ◽  
First Principles ◽  
Lead Free ◽  
Double Perovskites ◽  
First Principles Study

scholarly journals First-principles study of the excited-state properties of coumarin-derived dyes in dye-sensitized solar cells

2011 ◽  
Vol 21 (30) ◽  
pp. 11101 ◽  
Author(s):  
Saurabh Agrawal ◽  
Pratibha Dev ◽  
Niall J. English ◽  
K. Ravindranathan Thampi ◽  
J. M. D. MacElroy
Keyword(s):  
Solar Cells ◽  
Excited State ◽  
First Principles ◽  
Dye Sensitized Solar Cells ◽  
Dye Sensitized ◽  
First Principles Study ◽  
Sensitized Solar Cells

Suppressing photo-oxidation of non-fullerene acceptors and their blends in organic solar cells by exploring material design and employing friendly stabilizers

2019 ◽  
Vol 7 (43) ◽  
pp. 25088-25101 ◽  
Author(s):  
Jing Guo ◽  
Yao Wu ◽  
Rui Sun ◽  
Wei Wang ◽  
Jie Guo ◽  
...  
Keyword(s):  
Solar Cells ◽  
Organic Solar Cells ◽  
High Efficiency ◽  
Material Design ◽  
Photo Oxidation

Rational material design and additive selection boost the longevity of high-efficiency non-fullerene solar cells against photo-oxidation.

Band alignment and charge transfer predictions of ZnO/ZnX (X = S, Se or Te) interfaces applied to solar cells: a PBE+U theoretical study

2018 ◽  
Vol 20 (7) ◽  
pp. 4953-4961 ◽  
Author(s):  
Efracio Mamani Flores ◽  
Rogério Almeida Gouvea ◽  
Maurício Jeomar Piotrowski ◽  
Mário Lucio Moreira
Keyword(s):  
Solar Cells ◽  
Charge Transfer ◽  
First Principles ◽  
Theoretical Study ◽  
Band Alignment ◽  
First Principles Calculations

We performed first-principles calculations within PBE and PBE+U approximations to study ZnO and ZnX bulk systems and ZnO/ZnX interfaces (X = S, Se or Te), to the better comprehension of charge transference through the interface.

First-principles study on CH3NH3PbI3 materials for perovskite solar cells

2018 ◽  
Vol 550 ◽  
pp. 347-353
Author(s):  
Shengzhao Wang ◽  
Jianliang Qiao ◽  
Yuan Xu ◽  
Xinfeng Guo ◽  
Chunjuan Nan
Keyword(s):  
Solar Cells ◽  
First Principles ◽  
Perovskite Solar Cells ◽  
First Principles Study
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