scholarly journals Electronic Structure Theories of Singlet Fission and Multiple Exciton Generation

2020 ◽  
Author(s):  
Toru Shiozaki
Keyword(s):  
Electronic Structure ◽  
Singlet Fission ◽  
Multiple Exciton Generation

scholarly journals Women in the Singlet Fission World: Pearls in a Semi-Open Shell

Molecules ◽  
2021 ◽  
Vol 26 (10) ◽  
pp. 2922
Author(s):  
Joanna Stoycheva ◽  
Julia Romanova ◽  
Alia Tadjer
Keyword(s):  
Solar Cell ◽  
Focal Point ◽  
Open Shell ◽  
Generation Process ◽  
Singlet Fission ◽  
Software Developers ◽  
Multiple Exciton Generation ◽  
Cell Technologies ◽  
The Subject

Singlet fission, a multiple exciton generation process, can revolutionize existing solar cell technologies. Offering the possibility to double photocurrent, the process has become a focal point for physicists, chemists, software developers, and engineers. The following review is dedicated to the female investigators, predominantly theorists, who have contributed to the field of singlet fission. We highlight their most significant advances in the subject, from deciphering the mechanism of the process to designing coveted singlet fission materials.

scholarly journals Multiple exciton generation in quantum dots versus singlet fission in molecular chromophores for solar photon conversion

2015 ◽  
Vol 373 (2044) ◽  
pp. 20140412 ◽  
Author(s):  
Matthew C. Beard ◽  
Justin C. Johnson ◽  
Joseph M. Luther ◽  
Arthur J. Nozik
Keyword(s):  
Semiconductor Nanocrystals ◽  
Power Conversion ◽  
Photovoltaic Cell ◽  
Solar Fuels ◽  
Triplet States ◽  
Singlet Fission ◽  
Multiple Exciton Generation ◽  
A Cell ◽  
Solar Electricity ◽  
Conversion Efficiencies

Both multiple exciton generation (MEG) in semiconductor nanocrystals and singlet fission (SF) in molecular chromophores have the potential to greatly increase the power conversion efficiency of solar cells for the production of solar electricity (photovoltaics) and solar fuels (artificial photosynthesis) when used in solar photoconverters. MEG creates two or more excitons per absorbed photon, and SF produces two triplet states from a single singlet state. In both cases, multiple charge carriers from a single absorbed photon can be extracted from the cell and used to create higher power conversion efficiencies for a photovoltaic cell or a cell that produces solar fuels, like hydrogen from water splitting or reduced carbon fuels from carbon dioxide and water (analogous to biological photosynthesis). The similarities and differences in the mechanisms and photoconversion cell architectures between MEG and SF are discussed.

Low-Lying Electronic Excited States of Pentacene Oligomers: A Comparative Electronic Structure Study in the Context of Singlet Fission

2014 ◽  
Vol 11 (1) ◽  
pp. 147-156 ◽  
Author(s):  
Pedro B. Coto ◽  
Sahar Sharifzadeh ◽  
Jeffrey B. Neaton ◽  
Michael Thoss
Keyword(s):  
Electronic Structure ◽  
Excited States ◽  
Structure Study ◽  
Singlet Fission ◽  
Electronic Excited States

Electronic Structure Study of Singlet Fission in Tetracene Derivatives

2013 ◽  
Vol 10 (1) ◽  
pp. 324-334 ◽  
Author(s):  
David Casanova
Keyword(s):  
Electronic Structure ◽  
Structure Study ◽  
Singlet Fission

Triisopropylsilylethynyl-Pentacene on Au(111): Adsorption Properties, Electronic Structure, and Singlet Fission Dynamics

2017 ◽  
Vol 121 (33) ◽  
pp. 18075-18083 ◽  
Author(s):  
Arnulf Stein ◽  
Friedrich Maaß ◽  
Petra Tegeder
Keyword(s):  
Electronic Structure ◽  
Adsorption Properties ◽  
Singlet Fission

A Marcus-Hush Perspective on Adiabatic Singlet Fission

2019 ◽  
Author(s):  
Timothy Schmidt
Keyword(s):  
Electron Transfer ◽  
Electronic Structure ◽  
Ab Initio ◽  
Density Functional ◽  
Singlet State ◽  
Singlet Fission ◽  
Photo Induced Electron Transfer ◽  
Triplet Pair ◽  
Pair State

<div>Singlet fission is a process whereby a bichromophoric system crosses from an excitonically coupled singlet state to a singlet-coupled triplet pair state. If the electronic structure is described locally, then the process may be described by a formal exchange of electrons. As such, it lends itself to a treatment rooted in the Marcus-Hush description of electron transfer. Here we use ab initio and density functional electronic structure theories to reveal a Marcus-Hush perspective on singlet fission and propose experiments to probe singlet fission in the spirit of photo-induced electron transfer.</div>

scholarly journals Theoretical limits of multiple exciton generation and singlet fission tandem devices for solar water splitting

2019 ◽  
Vol 151 (11) ◽  
pp. 114111 ◽  
Author(s):  
Marissa S. Martinez ◽  
Arthur J. Nozik ◽  
Matthew C. Beard
Keyword(s):  
Water Splitting ◽  
Singlet Fission ◽  
Multiple Exciton Generation ◽  
Solar Water ◽  
Solar Water Splitting
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