Modified Fullerenes as an Acceptor in Bulk Heterojunction Organic Solar Cell – A Theoretical study

2021 ◽  
Author(s):  
Krishnan Sangameswaran ◽  
Kittusamy Senthilkumar
Keyword(s):  
Electronic Structure ◽  
Organic Solar Cells ◽  
Organic Solar Cell ◽  
High Efficiency ◽  
Theoretical Study ◽  
Bulk Heterojunction ◽  
Electronic Structure Calculations ◽  
Fullerene Derivatives ◽  
Donor Acceptor ◽  
Structure Calculations

In the present study the electronic structure calculations were used to provide the designing strategies for P3HT-fullerene derivatives based donor-acceptor materials for high efficiency Bulk Heterojunction Organic Solar Cells (BHJ...

scholarly journals All-small-molecule organic solar cells with over 14% efficiency by optimizing hierarchical morphologies

2019 ◽  
Vol 10 (1) ◽  
Author(s):  
Ruimin Zhou ◽  
Zhaoyan Jiang ◽  
Chen Yang ◽  
Jianwei Yu ◽  
Jirui Feng ◽  
...  
Keyword(s):  
Solar Cells ◽  
Small Molecule ◽  
Organic Solar Cells ◽  
High Performance ◽  
High Efficiency ◽  
Bulk Heterojunction ◽  
Photovoltaic Performance ◽  
Photovoltaic System ◽  
Active Layers ◽  
Donor Acceptor

AbstractThe high efficiency all-small-molecule organic solar cells (OSCs) normally require optimized morphology in their bulk heterojunction active layers. Herein, a small-molecule donor is designed and synthesized, and single-crystal structural analyses reveal its explicit molecular planarity and compact intermolecular packing. A promising narrow bandgap small-molecule with absorption edge of more than 930 nm along with our home-designed small molecule is selected as electron acceptors. To the best of our knowledge, the binary all-small-molecule OSCs achieve the highest efficiency of 14.34% by optimizing their hierarchical morphologies, in which the donor or acceptor rich domains with size up to ca. 70 nm, and the donor crystals of tens of nanometers, together with the donor-acceptor blending, are proved coexisting in the hierarchical large domain. All-small-molecule photovoltaic system shows its promising for high performance OSCs, and our study is likely to lead to insights in relations between bulk heterojunction structure and photovoltaic performance.

scholarly journals Increasing donor-acceptor spacing for reduced voltage loss in organic solar cells

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Jing Wang ◽  
Xudong Jiang ◽  
Hongbo Wu ◽  
Guitao Feng ◽  
Hanyu Wu ◽  
...  
Keyword(s):  
Solar Cells ◽  
Organic Solar Cells ◽  
Radiative Decay ◽  
High Efficiency ◽  
Bulk Heterojunction ◽  
Perovskite Solar Cells ◽  
Research Direction ◽  
Voltage Loss ◽  
Donor Acceptor ◽  
New Research

AbstractThe high voltage losses ($${V}_{{loss}}$$ V l o s s ), originating from inevitable electron-phonon coupling in organic materials, limit the power conversion efficiency of organic solar cells to lower values than that of inorganic or perovskite solar cells. In this work, we demonstrate that this $${V}_{{loss}}$$ V l o s s can in fact be suppressed by controlling the spacing between the donor (D) and the acceptor (A) materials (DA spacing). We show that in typical organic solar cells, the DA spacing is generally too small, being the origin of the too-fast non-radiative decay of charge carriers ($${k}_{{nr}}$$ k n r ), and it can be increased by engineering the non-conjugated groups, i.e., alkyl chain spacers in single component DA systems and side chains in high-efficiency bulk-heterojunction systems. Increasing DA spacing allows us to realize significantly reduced $${k}_{{nr}}$$ k n r and improved device voltage. This points out a new research direction for breaking the performance bottleneck of organic solar cells.

Theoretical study on the structure and electronic properties of alkylimidazolium iodide ionic liquids: the effect of alkyl chain length

2020 ◽  
Vol 44 (10) ◽  
pp. 4023-4032 ◽  
Author(s):  
Leila Darabi ◽  
Morteza Zare
Keyword(s):  
Electronic Structure ◽  
Ionic Liquids ◽  
Thermophysical Properties ◽  
Theoretical Study ◽  
Alkyl Chain ◽  
Electronic Structure Calculations ◽  
Alkyl Chain Length ◽  
Interaction Energies ◽  
Anion Interaction ◽  
Structure Calculations

Study on the cation–anion interaction energies of 1-alkyl-3-methylimidazolium iodide ionic liquids using electronic structure calculations and investigation of their correlations with thermophysical properties.

A theoretical study of the photodynamics of salicylidene-2-anthrylamine in acetonitrile solution

2018 ◽  
Vol 20 (46) ◽  
pp. 29399-29411 ◽  
Author(s):  
Wilver A. Muriel ◽  
Juan F. Botero-Cadavid ◽  
Carlos Cárdenas ◽  
William Rodríguez-Córdoba
Keyword(s):  
Molecular Dynamics ◽  
Electronic Structure ◽  
Excited State ◽  
Theoretical Study ◽  
Electronic Structure Calculations ◽  
Acetonitrile Solution ◽  
Td Dft ◽  
Dynamics Simulations ◽  
Structure Calculations ◽  
Photoinduced Processes

The ultrafast photoinduced processes of salicylidene-2-anthrylamine (2-AntSA) in acetonitrile solution have been investigated using DFT/TD-DFT static electronic structure calculations and excited state ab initio molecular dynamics simulations.

scholarly journals Ab initio electronic structure calculations of entire blue copper azurins

2018 ◽  
Vol 20 (48) ◽  
pp. 30392-30402 ◽  
Author(s):  
Carlos Romero-Muñiz ◽  
María Ortega ◽  
J. G. Vilhena ◽  
I. Díez-Pérez ◽  
Juan Carlos Cuevas ◽  
...  
Keyword(s):  
Pseudomonas Aeruginosa ◽  
Electronic Structure ◽  
Amino Acid ◽  
Ab Initio ◽  
Theoretical Study ◽  
Electronic Structure Calculations ◽  
Single Amino Acid ◽  
Blue Copper ◽  
Structure Calculations ◽  
Ab Initio Electronic Structure

We present a theoretical study of the blue-copper azurin extracted from Pseudomonas aeruginosa and several of its single amino acid mutants.

Interplay of alternative conjugated pathways and steric interactions on the electronic and optical properties of donor–acceptor conjugated polymers

2014 ◽  
Vol 2 (42) ◽  
pp. 8873-8879 ◽  
Author(s):  
Igo T. Lima ◽  
Chad Risko ◽  
Saadullah G. Aziz ◽  
Demétrio A. da Silva Filho ◽  
Jean-Luc Brédas
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Conjugated Polymers ◽  
Conjugated Polymer ◽  
Electronic Structure Calculations ◽  
Polymer Backbone ◽  
Steric Interactions ◽  
Electronic And Optical Properties ◽  
Donor Acceptor ◽  
Structure Calculations

Orthogonally conjugated moieties appended to a conjugated polymer backbone are used to control solubility and packing. Here, electronic-structure calculations show how such configurations impact the polymer geometry and the electronic/optical properties.

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