Impact of Nitrogen-to-Phosphorus Substitution on End Group of the Y6 Nonfullerene Molecule for Organic Photovoltaics: A Comprehensive Modeling Study

Saved in:
Bibliographic Details
Main Authors: Leandro Benatto, Guilherme C. Q. da Silva, Matheus F. F. das Neves, João Paulo A. Souza, Luana Wouk, Lucimara Stolz Roman, Marlus Koehler, Graziâni Candiotto
Format: Article
Language:English
Published: American Chemical Society 2025-05-01
Series:ACS Omega
Online Access:https://doi.org/10.1021/acsomega.5c02254
Tags: Add Tag
No Tags, Be the first to tag this record!
_version_ 1850273624321163264
author Leandro Benatto
Guilherme C. Q. da Silva
Matheus F. F. das Neves
João Paulo A. Souza
Luana Wouk
Lucimara Stolz Roman
Marlus Koehler
Graziâni Candiotto
author_facet Leandro Benatto
Guilherme C. Q. da Silva
Matheus F. F. das Neves
João Paulo A. Souza
Luana Wouk
Lucimara Stolz Roman
Marlus Koehler
Graziâni Candiotto
author_sort Leandro Benatto
collection DOAJ
format Article
id doaj-art-a4f85dae030a4ad49eaacfed5984c5c5
institution OA Journals
issn 2470-1343
language English
publishDate 2025-05-01
publisher American Chemical Society
record_format Article
series ACS Omega
spelling doaj-art-a4f85dae030a4ad49eaacfed5984c5c52025-08-20T01:51:25ZengAmerican Chemical SocietyACS Omega2470-13432025-05-011018191891920510.1021/acsomega.5c02254Impact of Nitrogen-to-Phosphorus Substitution on End Group of the Y6 Nonfullerene Molecule for Organic Photovoltaics: A Comprehensive Modeling StudyLeandro Benatto0Guilherme C. Q. da Silva1Matheus F. F. das Neves2João Paulo A. Souza3Luana Wouk4Lucimara Stolz Roman5Marlus Koehler6Graziâni Candiotto7Instituto de Física, Universidade Federal do Rio de Janeiro, Rio de Janeiro, RJ, BrazilLaboratoire ICB UMR 6303, Université de Bourgogne, Dijon, FranceDepartment of Physics, Federal University of Paraná, Curitiba, PR, BrazilInstitute of Physics, University of Brasília, Brasília, DF, BrazilInstitute of Physics, University of Brasília, Brasília, DF, BrazilDepartment of Physics, Federal University of Paraná, Curitiba, PR, BrazilDepartment of Physics, Federal University of Paraná, Curitiba, PR, BrazilInstituto de Física, Universidade Federal do Rio de Janeiro, Rio de Janeiro, RJ, Brazilhttps://doi.org/10.1021/acsomega.5c02254
spellingShingle Leandro Benatto
Guilherme C. Q. da Silva
Matheus F. F. das Neves
João Paulo A. Souza
Luana Wouk
Lucimara Stolz Roman
Marlus Koehler
Graziâni Candiotto
Impact of Nitrogen-to-Phosphorus Substitution on End Group of the Y6 Nonfullerene Molecule for Organic Photovoltaics: A Comprehensive Modeling Study
ACS Omega
title Impact of Nitrogen-to-Phosphorus Substitution on End Group of the Y6 Nonfullerene Molecule for Organic Photovoltaics: A Comprehensive Modeling Study
title_full Impact of Nitrogen-to-Phosphorus Substitution on End Group of the Y6 Nonfullerene Molecule for Organic Photovoltaics: A Comprehensive Modeling Study
title_fullStr Impact of Nitrogen-to-Phosphorus Substitution on End Group of the Y6 Nonfullerene Molecule for Organic Photovoltaics: A Comprehensive Modeling Study
title_full_unstemmed Impact of Nitrogen-to-Phosphorus Substitution on End Group of the Y6 Nonfullerene Molecule for Organic Photovoltaics: A Comprehensive Modeling Study
title_short Impact of Nitrogen-to-Phosphorus Substitution on End Group of the Y6 Nonfullerene Molecule for Organic Photovoltaics: A Comprehensive Modeling Study
title_sort impact of nitrogen to phosphorus substitution on end group of the y6 nonfullerene molecule for organic photovoltaics a comprehensive modeling study
url https://doi.org/10.1021/acsomega.5c02254
work_keys_str_mv AT leandrobenatto impactofnitrogentophosphorussubstitutiononendgroupofthey6nonfullerenemoleculefororganicphotovoltaicsacomprehensivemodelingstudy
AT guilhermecqdasilva impactofnitrogentophosphorussubstitutiononendgroupofthey6nonfullerenemoleculefororganicphotovoltaicsacomprehensivemodelingstudy
AT matheusffdasneves impactofnitrogentophosphorussubstitutiononendgroupofthey6nonfullerenemoleculefororganicphotovoltaicsacomprehensivemodelingstudy
AT joaopauloasouza impactofnitrogentophosphorussubstitutiononendgroupofthey6nonfullerenemoleculefororganicphotovoltaicsacomprehensivemodelingstudy
AT luanawouk impactofnitrogentophosphorussubstitutiononendgroupofthey6nonfullerenemoleculefororganicphotovoltaicsacomprehensivemodelingstudy
AT lucimarastolzroman impactofnitrogentophosphorussubstitutiononendgroupofthey6nonfullerenemoleculefororganicphotovoltaicsacomprehensivemodelingstudy
AT marluskoehler impactofnitrogentophosphorussubstitutiononendgroupofthey6nonfullerenemoleculefororganicphotovoltaicsacomprehensivemodelingstudy
AT grazianicandiotto impactofnitrogentophosphorussubstitutiononendgroupofthey6nonfullerenemoleculefororganicphotovoltaicsacomprehensivemodelingstudy