The raw data and the scripts used to perform simulations for the article "Separating triplet exciton diffusion from triplet-triplet annihilation by the introduction of a mediator" by Andrew J. Carrod, Anton M. Berghuis, Andrew Monkman, Andrew Danos, and Karl Börjesson are here stored.

The data consist of:

Raw and processed absorption and emission spectra for various rubrene, tetracene, and porphyrin films.
Dynamic and static emission quenching of a porphyrin by tetrancene in solution and film.
Upconversion spectra and integrated upconversion as a function of excitation intensity.
Monte Carlo simulations
Scripts used for the Monte Carlo simulations

The first part of the filename indicate to which figure in the article that the data belongs to. The file ending describes what type of data that the file consist of:

".txt" tab delimited raw data file.
".svg" figure file, originally compiled using the Inkscape software.
".opju" figure file, made using the data in the corresponding ".txt" file, can be opened using he Origin software.
".zip" compressed (by 7-zip) output files from simulations. The script used for simulations is named "Sim_Script_Matlab.zip" and needs the sofware MatLab to run.

The simulation script consists of:

A main script "main_TTA_diffusion", from where the script is runed
A file where all input data is defined "SimulationVariables"
Parameters can be swept using the "MakeSweepFilesJSON" file
Several functions that should not be changed

The simulation script generates an output folder containing all output data together with the variables used in the input data file. Show less..

Data contains personal data

Language

English

Method and outcome

Data format / data structure

Numeric

Still image

Software

Data collection

Mode of collection: Recording
Description of the mode of collection:
Solution-based samples used for UV-Vis and emission spectroscopy were prepared in an Mbraun glove box with oxygen and water levels less than 1 ppm. Solvents were degassed with argon prior to use, then prepared and sealed in cuvettes with a cap and PTFE septum. Measurements were performed immediately after preparation. UV-Visible spectra were recorded on a Perkin Elmer LAMBDA 950 instrument, while steady-state emission spectra were measured on an Edinburgh Instruments FLS 1000 spectrofluorometer with a Xenon lamp as the excitation source and a double monochromator to select the wavelength.

Solid samples prepared as films on quartz glass were sealed prior to use in photophysical measurements to ensure the absence of oxygen. First exposed to vacuum while being loaded into an Mbraun glove box, samples were sealed under an inert atmosphere by affixing a second quartz plate over the film and sealing the edges using Loctite epoxy glue. Steady-state emission of TTA-UC samples was measured on an Edinburgh Instruments FLS 1000 spectrofluorometer. Either a 450W Xe arc lamp or a Coherent OBIS LX (690 nm) CW laser was used as an excitation source with variable power. Quantum yields were measured using the absolute method, utilizing an integrating sphere purchased from Edinburgh Instruments.

Luminescence decays were recorded either by time-correlated single-photon counting (TCSPC) or Multichannel Scaling (MCS) on an Edinburgh FLS 1000 spectrofluorometer, using an MCP or PMT as the detector. An Edinburgh Instruments µF2 or pulsed diode laser (475 nm, 1 MHz) was used as the excitation source.

Transient absorption was measured on an Edinburgh Instruments LP 980 spectrometer, with a SpectraPhysics Nd:YAG laser (705 nm, pulse width ~7 ns) coupled to a Spectra-Physics Primoscan optical parametric oscillator (OPO) as excitation. PMT (Hamamatsu R928) or image-intensified CCD camera (ICCD, Andor DH320T-25F-03) detectors were used for recording transient kinetics or spectra, respectively.

Geographic coverage

Administrative information

Responsible department/unit

Department of Chemistry and Molecular Biology

Contributor(s)

Andrew J. Carrod - University of Gothenburg

Anton M. Berghuis - Eindhoven University of Technology

Vishnu Nair Gopalakrishnan - University of Gothenburg, Department of Chemistry & Molecular Biology

Andrew Monkman - Durham University, Department of Physics

Andrew Danos - Durham University, Department of Physics

Andrew J. Carrod - University of Gothenburg

Anton M. Berghuis - Eindhoven University of Technology

Vishnu Nair Gopalakrishnan - University of Gothenburg, Department of Chemistry & Molecular Biology

Andrew Monkman - Durham University, Department of Physics

Andrew Danos - Durham University, Department of Physics

Karl Börjesson - University of Gothenburg, Department of Chemistry & Molecular Biology

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Topic and keywords

Research area

Natural sciences (Standard för svensk indelning av forskningsämnen 2011)

Chemical sciences (Standard för svensk indelning av forskningsämnen 2011)

Physical chemistry (Standard för svensk indelning av forskningsämnen 2011)

Keywords

Spectroscopy, Energy transfer, Photochemistry, Physical chemistry, Triplet triplet annihilation

Publications

Andrew J. Carrod, Anton M. Berghuis, Vishnu Nair Gopalakrishnan, Andrew Monkman, Andrew Danos, and Karl Börjesson
Separating triplet exciton diffusion from triplet-triplet annihilation by the introduction of a mediator
Chemical Science
2024
DOI: https://doi.org/10.1039/D4SC07004F

Published: 2024-12-20