Petter Persson

PhD, Associate Professor


Quantum Photoelectrochemistry

Computational investigations of solar cells and solar energy conversion.

We investigate structural, electronic, optical, and photochemical properties of nanostructured solar cells and molecular solar energy conversion processes using first principles computational modelling techniques. Current research includes investigations of fundamental properties of several types of solar energy conversion systems including Grätzel-type Dye-Sensitized Solar Cells (DSSCs), Organic Photovoltaics (OPVs), nanostructured semiconductor materials, and artificial photosynthesis. In particular, we investigate a wide range of light-harvesting materials, and surface electron transfer at interfaces.

Controlling Quantum Coherence - Conceptually New Strategies for Mastering Energy and Electron Transfer Processes in Biology and Functional Materials"
Co-PI of project headed by Prof. Tonu Pullerits and funded by Knut and Alice Wallenberg Foundation 2012 - 2016.

Surfaces and Nanomaterials

Theoretical studies of heterogeneous catalysis and molecular functionalization of nanostructured materials.
nmC@LU: The nanomaterials research is part of the Nanometer Structure Consortium at Lund University.

Astrochemistry and Molecular Astrobiology

Appointment as researcher in astrobiology at the Pufendorf Institute for Advanced Studies 2010-2011.
2010-2011. Astrobiology: Past, Present, and Future. The project is presented in the following poster.
2012-2013. Astrobiology: The Signatures of Life.

New book published from the Pufendorf Institute Astrobiology Theme:
Extrema världar. David Dunér (red.). Pufendorfinstitutet 2013.

Selected publications

  • Iron sensitizer converts light to electrons with 92% yield
    T. C. B. Harlang, Y. Liu, O. Gordivska, L. A. Fredin, C. S. Ponseca Jr., P. Huang, P. Chabéra, K. S. Kjaer, H. Mateos, J. Uhlig, R. Lomoth, L. R. Wallenberg, S. Styring, P. Persson, V. Sundstrom, W. Warnmark
    Nature Chem., AOL (2015), DOI: 10.1048/NCHEM.2365

  • Exceptional excited-state lifetime of an iron(II) N-heterocyclic carbene complexes explained
    L. A. Fredin, M. Papai, E. Rozsalyi, G. Vanko, K. Warnmark, V. Sundstrom, P. Persson
    J. Phys. Chem. Lett. 5, 2066 (2014)

  • Multiscale Modelling of Interfacial Electron Transfer
    P. Persson
    Book chapter in Solar Energy Conversion: Dynamics of Interfacial Electron and Energy Transfer (P. Piotrowiak, Ed.),
    RSC Energy and Environment Series No. 8, Royal Society of Chemistry, (2013)

  • Emerging polymorphism in nanostructured TiO2: Quantum chemical comparisons of anatase, rutile, and brookite clusters
    M. Galynska, P. Persson
    Internat. J. Quantum Chem. 113, 2611 (2013)

  • Development of a ReaxFF Reactive Force Field for Titanium Dioxide / Water Systems
    S.-Y. Kim, N. Kumar, P. Persson, J. Sofo, A. C. T. van Duin, J. D. Kubicki
    Langmuir 29, 7838 (2013)

  • Tuning the electronics of bis(tridentate)ruthenium(II) complexes with long-lived excited states: modifications to the ligand skeletons beyond classical RDG- or EWG decorations
    G. A. Parada, L. A. Fredin, M.-P. Santoni, M. Jäger, R. Lomoth, L. Hammarström, O. Johansson, P. Persson, S. Ott
    Inorg. Chem. 52, 5128 (2013)

  • Quantum chemical calculations of side-group interactions and electronic properties in thiophene-quinoxaline polymers
    S. Hedström, P. Persson
    J. Phys. Chem. C 116, 26700 (2012)
    DOI: 10.1021/jp308063u

  • Dynamical Simulation of Photoinduced Electron Transfer Processes in Dye-Sensitized Semiconductor Systems with Different Spacer Groups
    J. Li, I. Kondov, H. Wang, P. Persson, M. Thoss
    J. Chem. Phys. 137, 22A529 (2012)

  • Light-harvesting and electronic contacting capabilities of Ru(II) Ipa rod and star complexes - first principles predictions
    P. Persson, M. Knitter, E. Galoppini
    RSC Advances, 2, 7868 (2012)

  • Influence of triplet state multidimensionality on excited state lifetimes of Ru(II) bistridentate complexes - a computational study
    T. Österman, M. Abrahamsson, H.-C. Becker, L. Hammarström, P. Persson
    J. Phys. Chem. A, 116, 1041 (2012)

  • Bistridentate Ru(II)-polypyridyl complexes with microsecond triplet MLCT excited state lifetimes: sensitizers for rod-like molecular arrays
    M. Abrahamsson, M. Jäger, J. Kumar, T. Österman, P. Persson, H.-C. Becker, O. Johansson, L. Hammarström
    J. Am. Chem. Soc.130, 15533 (2008)

  • Quantum chemical study of the influence of anchor-cum-spacer groups on femtosecond electron transfer times in dye-sensitized semiconductor nanocrystals
    P. Persson, M. J. Lundqvist, R. Ernstorfer, W. A. Goddard III, F. Willig
    J. Chem. Theory Comp. 2, 441 (2006)

  • Calculated Structural and Electronic Interactions of a Titanium Dioxide Nanocrystal Sensitized with the Ruthenium Dye N3
    P. Persson, M. J. Lundqvist
    J. Phys. Chem. B 109, 11918 (2005)

  • Experimental evidence for sub-3-fs charge transfer from an aromatic adsorbate to a semiconductor
    J. Schnadt, P. A. Bruhwiler, L. Patthey, J. O'Shea, M. Odelius, R. Ahuja, O. Karis, M. Bässler, P. Persson, H. Siegbahn, S. Lunell, and N. Mårtensson
    Nature 418, 620 (2002)

  • Quantum Chemical Study of Photoinjection Processes in Dye-Sensitized TiO2 Nanoparticles
    P. Persson, R. Bergström, S. Lunell
    J. Phys. Chem. B 104, 10348 (2000)

  • List of Publications (1996 - 2011).


Quantum Chemistry at Work

PhD course lectures Spring 2011.


The Chemical Society in Lund / Kemiska Föreningen i Lund

Secretary of the Chemical Society in Lund (2011 - ).
The Chemical Society in Lund is part of The Swedish Chemical Society.

Popular Science Lectures

Lectures on Solar Energy and Computational Chemistry for the general public and high-school students.i

International Year of Chemistry 2011

Organizer of an Energy and Climate Day at the Technical Museum in Malmö, 26 March 2011.
More pictures from Malmö.