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17 articles related to "Dft Density Functional Theory"

Articles

Original Research

Published on 05 Aug 2022

Design of new hole transport materials based on triphenylamine derivatives using different π-linkers for the application in perovskite solar cells. A theoretical study

in Theoretical and Computational Chemistry

  • José David Quezada-Borja
  • Luz María Rodríguez-Valdez
  • Juan Pedro Palomares-Báez
  • Marco Antonio Chávez-Rojo
  • Linda-Lucila Landeros-Martinez
  • Mayra Cristina Martínez-Ceniceros
  • Gabriel Rojas-George
  • Isui Abril García-Montoya
  • Nora Aydeé Sánchez-Bojorge
Frontiers in Chemistry
doi 10.3389/fchem.2022.907556
  • 6,362 views
  • 14 citations