Ab initio nonadiabatic molecular dynamics investigations on the excited carriers in condensed matter systems

The ultrafast dynamics of photoexcited charge carriers in condensed matter systems play an important role in optoelectronics and solar energy conversion. Yet it is challenging to understand such multidimensional dynamics at the atomic scale. Combining the real‐time time‐dependent density functional...

Ausführliche Beschreibung

Gespeichert in:

Bibliographische Detailangaben
Veröffentlicht in:	Wiley interdisciplinary reviews. Computational molecular science Jg. 9; H. 6; S. e1411 - n/a
Hauptverfasser:	Zheng, Qijing, Chu, Weibin, Zhao, Chuanyu, Zhang, Lili, Guo, Hongli, Wang, Yanan, Jiang, Xiang, Zhao, Jin
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	Hoboken, USA Wiley Periodicals, Inc 01.11.2019 Wiley Subscription Services, Inc
Schlagworte:	Charge transfer Computer applications Computer simulation Condensed matter physics Coupling (molecular) Current carriers Defects Density functional theory Dynamics Electronic structure Energy conversion excited carrier dynamics Hefei‐NAMD Investigations Materials science Materials technology Mechanics Methods Molecular dynamics Molecular structure Momentum nonadiabatic molecular dynamics Optoelectronics real‐time time‐dependent density functional theory Recombination Solar energy Solar energy conversion Spin dynamics Statistical mechanics Switches Time dependence
ISSN:	1759-0876, 1759-0884
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Schreiben Sie den ersten Kommentar!