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Dynamics of recombination via conical intersection in a semiconductor nanocrystal

Conical intersections are well known to introduce nonradiative decay pathways in molecules, but have only recently been implicated in nonradiative recombination processes in materials. Here we apply excited state ab initio molecular dynamics simulations based on a multireference description of the e...

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Detalhes bibliográficos
Publicado no:Chem Sci
Main Authors: Peng, Wei-Tao, Fales, B. Scott, Shu, Yinan, Levine, Benjamin G.
Formato: Artigo
Idioma:Inglês
Publicado em: Royal Society of Chemistry 2017
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5869574/
https://ncbi.nlm.nih.gov/pubmed/29629136
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c7sc04221c
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