Effect of varying the TD-lc-DFTB range-separation parameter on charge and energy transfer in a model pentacene/buckminsterfullerene heterojunction-Reference-Cited by-同舟云学术

Effect of varying the TD-lc-DFTB range-separation parameter on charge and energy transfer in a model pentacene/buckminsterfullerene heterojunction

Published:2021-02-07 Issue:5 Volume:154 Page:054102
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Darghouth Ala Aldin M. H. M.¹,Casida Mark E.²^ORCID,Zhu Xi³,Natarajan Bhaarathi³,Su Haibin³^ORCID,Humeniuk Alexander⁴^ORCID,Titov Evgenii⁴^ORCID,Miao Xincheng⁴,Mitrić Roland⁴^ORCID

Affiliation:

1. Department of Chemistry, College of Science, University of Mosul, Mosul, Iraq

2. Laboratoire de Spectrométrie, Interactions et Chimie Théorique (SITh), Département de Chimie Moléculaire (DCM), Institut de Chimie Moléculaire de Grenoble (ICMG), Université Grenoble-Alpes, 301 rue de la Chimie, CS 40700, 38058 Grenoble Cedex 9, France

3. Institute of Advanced Studies, Nanyang Technological University, 60 Nanyang View, 639673, Singapore

4. Institut für Physikalische und Theoretische Chemie, Julius-Maximilians-Universität Würzburg, Emil-Fischer-Straße 42, D-97074 Würzburg, Germany

Funder

German GRK 2112

Society of Interdisciplinary Science

Franco-Iraqi Ph.D. Scholarship

University of Mosul

Agence Nationale de la Recherche

FP7 Ideas: European Research Council

Publisher

AIP Publishing

Subject