Theoretical insight into a novel zinc di-corrole dye with excellent photoelectronic properties for solar cells

2015 ◽  
Vol 39 (5) ◽  
pp. 3624-3628 ◽  
Author(s):  
Chun Zhu ◽  
Jin-Xia Liang

A new zinc di-corrole dye has been designed by substitution of Ga with Zn in a Ga di-corrole dye. Its optical and electronic properties were studied by extensive DFT calculations.

2021 ◽  
Author(s):  
Yuanwei Jiang ◽  
Shuangying Cao ◽  
Linfeng Lu ◽  
Guanlin Du ◽  
Yinyue Lin ◽  
...  

Abstract Owing to its large work function, MoOX has been widely used for hole-selective contact in both thin film and crystalline silicon solar cells. In this work, thermally evaporated MoOX films are employed on the rear sides of p-type crystalline silicon (p-Si) solar cells, where the optical and electronic properties of the MoOX films as well as the corresponding device performances are investigated as a function of post-annealing treatment. The MoOX film annealed at 100oC shows the highest work function and proves the best hole selectivity based on the results of energy band simulation and contact resistivity measurements. The full rear p-Si/MoOX/Ag contacted solar cells demonstrate the best performance with an efficiency of 19.19%, which is the result of the combined influence of MoOX’s hole selectivity and passivation ability.


2020 ◽  
Vol 8 (1) ◽  
pp. 401-411 ◽  
Author(s):  
Tong Xiao ◽  
Jiayu Wang ◽  
Shuting Yang ◽  
Yuanwei Zhu ◽  
Dongfan Li ◽  
...  

We realized simultaneously optimized optical and electronic properties in semitransparent organic solar cells by tuning the film-depth-dependent crystallinity distribution.


2019 ◽  
Vol 21 (32) ◽  
pp. 17729-17739 ◽  
Author(s):  
Alex Pifer Coleone ◽  
Leonardo Gois Lascane ◽  
Augusto Batagin-Neto

DFT calculations were used to evaluate the effect of side groups on the structural, optical and electronic properties of 3-substituted PPy derivatives. Simple relationships between the optoelectronic properties and Hammet parameters are proposed.


2020 ◽  
Vol 44 (34) ◽  
pp. 14513-14528
Author(s):  
Alireza Soltani ◽  
Mohammad Ramezanitaghartapeh ◽  
Masoud Bezi Javan ◽  
Mohammad T. Baei ◽  
Andrew Ng Kay Lup ◽  
...  

The interaction energies and optoelectronic properties of sarin (SF) and chlorosarin (SC) on the B12N12 with and without the presence of an electric field have been studied using density functional theory (DFT) calculations.


2017 ◽  
Vol 133 (3) ◽  
pp. 223-233 ◽  
Author(s):  
Vesna D. Vitnik ◽  
Željko J. Vitnik ◽  
Bojan Đ. Božić ◽  
Nataša V. Valentić ◽  
Sanda P. Dilber ◽  
...  

2017 ◽  
Vol 5 (10) ◽  
pp. 4886-4893 ◽  
Author(s):  
Nicole Bauer ◽  
Qianqian Zhang ◽  
Jingbo Zhao ◽  
Long Ye ◽  
Joo-Hyun Kim ◽  
...  

Non-fullerene acceptors (NFAs) are becoming a serious contender to fullerene-based electron acceptors in organic photovoltaics, due to their structural versatility and easily tunable optical and electronic properties.


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