Singlet Fission in Thin Solid Films of Bis(thienyl)diketopyrrolopyrroles

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F20%3A10438905" target="_blank" >RIV/00216208:11320/20:10438905 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61389013:_____/20:00536389 RIV/61388963:_____/20:00536389 RIV/00216275:25310/20:39917184 RIV/00216305:26310/20:PU137594 RIV/60461373:22340/20:43921390

Výsledek na webu

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=RN-d6fdfNs" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=RN-d6fdfNs</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/cplu.202000623" target="_blank" >10.1002/cplu.202000623</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Singlet Fission in Thin Solid Films of Bis(thienyl)diketopyrrolopyrroles

Popis výsledku v původním jazyce

The singlet fission (SF) process discovered in bis(thienyl)diketopyrrolopyrroles (TDPPs) can boost their potential for photovoltaics (PV). The crystal structures of TDPP analogs carrying n-hexyl, n-butyl, or 2-(adamant-1-yl)ethyl substituents are similar, but contain increasingly slipped stacked neighbor molecules. The observed SF rate constants, k(SF), (7 +/- 4), (9 +/- 3) and (5.6 +/- 1.9) ns(-1) for thin films of the three compounds, respectively, are roughly equal, but the triplet quantum yields vary strongly: (120 +/- 40), (160 +/- 40) and (70 +/- 16), respectively. The recent molecular pair model reproduces the near equality of all three k(SF) at the crystal geometries and identifies all possible pair arrangements in which SF is predicted to be faster, by up to two orders of magnitude. However, it is also clear that the presently non-existent ability to predict the rates of processes competing with SF is pivotal for providing a guide for efforts to optimize the materials for PV.

Název v anglickém jazyce

Singlet Fission in Thin Solid Films of Bis(thienyl)diketopyrrolopyrroles

Popis výsledku anglicky

The singlet fission (SF) process discovered in bis(thienyl)diketopyrrolopyrroles (TDPPs) can boost their potential for photovoltaics (PV). The crystal structures of TDPP analogs carrying n-hexyl, n-butyl, or 2-(adamant-1-yl)ethyl substituents are similar, but contain increasingly slipped stacked neighbor molecules. The observed SF rate constants, k(SF), (7 +/- 4), (9 +/- 3) and (5.6 +/- 1.9) ns(-1) for thin films of the three compounds, respectively, are roughly equal, but the triplet quantum yields vary strongly: (120 +/- 40), (160 +/- 40) and (70 +/- 16), respectively. The recent molecular pair model reproduces the near equality of all three k(SF) at the crystal geometries and identifies all possible pair arrangements in which SF is predicted to be faster, by up to two orders of magnitude. However, it is also clear that the presently non-existent ability to predict the rates of processes competing with SF is pivotal for providing a guide for efforts to optimize the materials for PV.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2020

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

ChemPlusChem [online]

ISSN

2192-6506

e-ISSN

—

Svazek periodika

85

Číslo periodika v rámci svazku

12

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

15

Strana od-do

2689-2703

Kód UT WoS článku

000603402700020

EID výsledku v databázi Scopus

2-s2.0-85098258192