Publications de Antonio Prlj | EPFL Graph Search

Direct Observation of Aggregation-Induced Emission Mechanism

Anne-Clémence Corminboeuf, Antonio Prlj, Kun-Han Lin, Han Han

The mechanism of aggregation-induced emission, which overcomes the common aggregation-caused quenching problem in organic optoelectronics, is revealed by monitoring the real time structural evolution and dynamics of electronic excited state with frequency ...

Wiley-VCH Verlag GmbH2020

Semiclassical Approach to Photophysics Beyond Kasha’s Rule and Vibronic Spectroscopy Beyond the Condon Approximation. The Case of Azulene

Jacques-Edouard Moser, Jiri Vanicek, Zhan Tong Zhang, Antonio Prlj, Tomas Zimmermann, Tomislav Begusic, George Cameron Fish, Seonghoon Choi, Marius Wehrle, Julien Roulet

Azulene is a prototypical molecule with ananomalousfluorescence from the second excited electronic state,thus violating Kasha’s rule, and with an emission spectrum thatcannot be understood within the Condon approximation. To betterunderstand the photophysi ...

2020

Getting the Right Twist: Influence of Donor-Acceptor Dihedral Angle on Exciton Kinetics and Singlet-Triplet Gap in Deep Blue Thermally Activated Delayed Fluorescence Emitter

Mohammad Khaja Nazeeruddin, Anne-Clémence Corminboeuf, Antonio Prlj, Kun-Han Lin, Nikita Drigo

Here, a novel deep blue emitter SBABz4 for use in organic light-emitting diodes (OLED) is investigated. The molecular design of the emitter enables thermally activated delayed fluorescence (TADF), which we examine by temperature-dependent time-resolved ele ...

AMER CHEMICAL SOC2019

Multiarm and Substituent Effects on Charge Transport of Organic Hole Transport Materials

Mohammad Khaja Nazeeruddin, Kevin Sivula, Liang Yao, Antonio Prlj, Kun-Han Lin, Nikita Drigo, Han-Hee Cho

We explore several potential dopant-free triphenylamine-based hole transport materials for perovskite solar cells by combining two design strategies: (1) incorporation of multiple arms for mobility enhancement and (2) including Lewis bases that assist in d ...

2019

Mechanisms of fluorescence quenching in prototypical aggregation-induced emission systems: excited state dynamics with TD-DFTB

Anne-Clémence Corminboeuf, Antonio Prlj, Kun-Han Lin, Daniel Hollas, Thierry Tran

A recent implementation of time-dependent tight-binding density functional theory is employed in excited state molecular dynamics for the investigation of the fluorescence quenching mechanism in 3 prototypical aggregation-induced emission systems. An asses ...

ROYAL SOC CHEMISTRY2019

Infrared Spectroscopy as a Probe of Electronic Energy Transfer

Thomas Rizzo, Valeriu Scutelnic, Antonio Prlj, Aleksandra Zabuga

We have combined electronic and vibrational spec- troscopy in a cryogenic ion trap to produce highly resolved, conformer-selective spectra for the ground and excited states of a peptide containing two chromophores. These spectra permit us to determine the ...

2018

How does alkyl chain length modify the properties of triphenylamine-based hole transport materials?

Anne-Clémence Corminboeuf, Antonio Prlj, Kun-Han Lin

Royal Society of Chemistry2018

Quantifying Electronic Phenomena in Organic Chromophores

Antonio Prlj

Challenging ground and excited state problems in the chemistry of common organic chromophores are investigated with state-of-the-art quantum chemical methods. We present a comprehensive excited state molecular dynamics analysis of (a) fundamental building ...

EPFL2017

Photochemistry of 1- and 2-Naphthols and their Water Clusters: The Role of 1ππ*(La) Mediated Hydrogen Transfer to Carbon Atoms

Anne-Clémence Corminboeuf, Antonio Prlj

The computational analysis of isomer- and conformer- dependent photochemistry of 1- and 2-naphthols and their microsolvated water clusters is motivated by their very different excited state reactivity. We present evidence that 1- and 2-naphthol follow dist ...

Wiley-V C H Verlag Gmbh2017

Fluorescence Quenching in BODIPY Dyes: the Role of Intramolecular Interactions and Charge Transfer

Anne-Clémence Corminboeuf, Antonio Prlj, Laurent Alexis Clément Vannay

The fluorescence properties of the BODIPY dye and its two meso-substituted derivatives, tert-butyl- and phenyl-BODIPY, are rationalized. The non emissive behavior of the latter two are attributed to the energetically accessible low-lying conical intersecti ...

Wiley-Blackwell2017