Ab Initio Molecular Dynamics Assessment on the Mixed Ionic–Electronic Transport for Crystalline Poly(3-Hexylthiophene) Using Full Explicit Lithium-Based Dopants and Additives
Author:
Affiliation:
1. Centro NanoMat & Área Física, Departamento de Experimentación y Teoría de la Estructura de la Materia y sus Aplicaciones (DETEMA), Facultad de Química, Universidad de la República, Montevideo C.P. 11800, Uruguay
Funder
Agencia Nacional de Investigaci?n e Innovaci?n
Ministerio de Educaci?n y Cultura
Comisi?n Sectorial de Investigaci?n Cient?fica
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Inorganic Chemistry,Polymers and Plastics,Organic Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.macromol.1c02009
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