Petter Persson

Using Iron L-Edge and Nitrogen K-Edge X-ray Absorption Spectroscopy to Improve the Understanding of the Electronic Structure of Iron Carbene Complexes

Meiyuan Guo, Robert Temperton, Giulio D’Acunto, Niclas Johansson, Rosemary Jones, et al.
(2024) Inorganic Chemistry, 63 p.12457-12468
Journal article

Side-group switching between metal-to-ligand charge-transfer and metal-centered excited state properties in iron(II) N-heterocyclic carbene complexes

Linnea Lindh, Nils W. Rosemann, Iria Bolaño Losada, Samuel Persson, Yogesh Goriya, et al.
(2024) Coordination Chemistry Reviews, 506
Journal article review

How Rigidity and Conjugation of Bidentate Ligands Affect the Geometry and Photophysics of Iron N-Heterocyclic Complexes : A Comparative Study

Om Prakash, Pavel Chábera, Nidhi Kaul, Valtýr F. Hlynsson, Nils W. Rosemann, et al.
(2024) Inorganic Chemistry, 63 p.4461-4473
Journal article

Tailoring the Photophysical Properties of a Homoleptic Iron(II) Tetra N-Heterocyclic Carbene Complex by Attaching an Imidazolium Group to the (C^∧N^∧C) Pincer Ligand─A Comparative Study

Om Prakash, Linnea Lindh, Arvind Kumar Gupta, Yen Tran Hoang Hai, Nidhi Kaul, et al.
(2024) Inorganic Chemistry, 63 p.2909-2918
Journal article

Photoredox matching of earth-abundant photosensitizers with hydrogen evolving catalysts by first-principles predictions

Iria Bolaño Losada, Petter Persson
(2024) Journal of Chemical Physics, 160
Journal article

Multifaceted Deactivation Dynamics of Fe(II) N-Heterocyclic Carbene Photosensitizers

Linnea Lindh, Torbjörn Pascher, Samuel Persson, Yogesh Goriya, Kenneth Wärnmark, et al.
(2023) Journal of Physical Chemistry A, 127 p.10210-10222
Journal article

Ligand-centered to metal-centered activation of a Rh(iii) photosensitizer revealed by ab initio molecular dynamics simulations

Iria Bolaño Losada, Petter Persson
(2023) Chemical Science, 14 p.13713-13721
Journal article

Competing dynamics of intramolecular deactivation and bimolecular charge transfer processes in luminescent Fe(iii) N-heterocyclic carbene complexes

Nils W. Rosemann, Linnea Lindh, Iria Bolaño Losada, Simon Kaufhold, Om Prakash, et al.
(2023) Chemical Science, 14 p.3569-3579
Journal article

Direct Determination of the Rate of Intersystem Crossing in a Near-IR Luminescent Cr(III) Triazolyl Complex

Robert W. Jones, Alexander J. Auty, Guanzhi Wu, Petter Persson, Martin V. Appleby, et al.
(2023) Journal of the American Chemical Society, 145 p.12081-12092
Journal article

Dip-and-pull ambient pressure photoelectron spectroscopy as a spectroelectrochemistry tool for probing molecular redox processes

Robert H. Temperton, Anurag Kawde, Axl Eriksson, Weijia Wang, Esko Kokkonen, et al.
(2022) Journal of Chemical Physics, 157
Journal article

Ultrafast laser spectroscopy uncovers mechanisms of light energy conversion in photosynthesis and sustainable energy materials

Donatas Zigmantas, Tomáš Polívka, Petter Persson, Villy Sundström
(2022) Chemical Physics Reviews, 3
Journal article

Electro-mechanically switchable hydrocarbons based on [8]annulenes

Magdalena Tasić, Jakov Ivković, Göran Carlström, Michaela Melcher, Paolo Bollella, et al.
(2022) Nature Communications, 13
Journal article

Borylation in the Second Coordination Sphere of Fe^IICyanido Complexes and Its Impact on Their Electronic Structures and Excited-State Dynamics

Lucius Schmid, Pavel Chábera, Isabelle Rüter, Alessandro Prescimone, Franc Meyer, et al.
(2022) Inorganic Chemistry, 61 p.15853-15863
Journal article

Photophysical Integrity of the Iron(III) Scorpionate Framework in Iron(III)-NHC Complexes with Long-Lived ²LMCT Excited States

Om Prakash, Linnea Lindh, Nidhi Kaul, Nils W. Rosemann, Iria Bolaño Losada, et al.
(2022) Inorganic Chemistry, 61 p.17515-17526
Journal article

Dye-sensitized solar cells based on Fe N-heterocyclic carbene photosensitizers with improved rod-like push-pull functionality

Linnea Lindh, Olga Gordivska, Samuel Persson, Hannes Michaels, Hao Fan, et al.
(2021) Chemical Science, 12 p.16035-16053
Journal article

Resonant X-ray photo-oxidation of light-harvesting iron (II/III) N-heterocyclic carbene complexes

Robert H. Temperton, Meiyuan Guo, Giulio D’Acunto, Niclas Johansson, Nils W. Rosemann, et al.
(2021) Scientific Reports, 11
Journal article

Spin propensity in resonant photoemission of transition metal complexes

Robert H. Temperton, Wilson Quevedo, Robert Seidel, Joachim Schnadt, Petter Persson, et al.
(2021) Physical Review Research, 3
Journal article

Design of robust 2,2′-bipyridine ligand linkers for the stable immobilization of molecular catalysts on silicon(111) surfaces

Samantha Johnson, James D. Blakemore, Bruce S. Brunschwig, Nathan S. Lewis, Harry B. Gray, et al.
(2021) Physical Chemistry Chemical Physics, 23 p.9921-9929
Journal article

Photofunctionality of iron(III) N-heterocyclic carbenes and related d⁵ transition metal complexes

Pavel Chábera, Linnea Lindh, Nils W. Rosemann, Om Prakash, Jens Uhlig, et al.
(2021) Coordination Chemistry Reviews, 426
Journal article review

Microsecond Photoluminescence and Photoreactivity of a Metal-Centered Excited State in a Hexacarbene-Co(III) Complex

Simon Kaufhold, Nils W. Rosemann, Pavel Chábera, Linnea Lindh, Iria Bolanõ Losada, et al.
(2021) Journal of the American Chemical Society , p.1307-1312
Journal article

A Stable Homoleptic Organometallic Iron(IV) Complex

Om Prakash, Pavel Chábera, Nils W. Rosemann, Ping Huang, Lennart Häggström, et al.
(2020) Chemistry - A European Journal, 26 p.12728-12732
Journal article

HERFD-XANES probes of electronic structures of iron^II/IIIcarbene complexes

Meiyuan Guo, Om Prakash, Hao Fan, Lisa H.M. de Groot, Valtýr Freyr Hlynsson, et al.
(2020) Physical Chemistry Chemical Physics, 22 p.9067-9073
Journal article

Photophysics and photochemistry of iron carbene complexes for solar energy conversion and photocatalysis

Linnea Lindh, Pavel Chábera, Nils W. Rosemann, Jens Uhlig, Kenneth Wärnmark, et al.
(2020) Catalysts, 10
Journal article review

Site-Selective Orbital Interactions in an Ultrathin Iron-Carbene Photosensitizer Film

Robert H. Temperton, Nils W. Rosemann, Meiyuan Guo, Niclas Johansson, Lisa A. Fredin, et al.
(2020) Journal of Physical Chemistry A, 124 p.1603-1609
Journal article

Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering

Kristjan Kunnus, Morgane Vacher, Tobias C.B. Harlang, Kasper S. Kjær, Kristoffer Haldrup, et al.
(2020) Nature Communications, 11
Journal article

Hot Branching Dynamics in a Light-Harvesting Iron Carbene Complex Revealed by Ultrafast X-ray Emission Spectroscopy

Hideyuki Tatsuno, Kasper S. Kjær, Kristjan Kunnus, Tobias C.B. Harlang, Cornelia Timm, et al.
(2020) Angewandte Chemie - International Edition, 59 p.364-372
Journal article

Tracing the Full Bimolecular Photocycle of Iron(III)-Carbene Light Harvesters in Electron-Donating Solvents

Nils W. Rosemann, Pavel Chábera, Om Prakash, Simon Kaufhold, Kenneth Wärnmark, et al.
(2020) Journal of the American Chemical Society, 142 p.8565-8569
Journal article

Excited State Dynamics of Bistridentate and Trisbidentate RuII Complexes of Quinoline-Pyrazole Ligands

Lisa Fredin, Joachim Hedberg Wallenstein, Elin Sundin, Martin Jarenmark, Deise F. Barbosa de Mattos, et al.
(2019) Inorganic Chemistry, 58 p.16354-16363
Journal article

Influence of Triplet Surface Properties on Excited-State Deactivation of Expanded Cage Bis(tridentate)Ruthenium(II) Complexes

Lisa A. Fredin, Petter Persson
(2019) Journal of Physical Chemistry A, 123 p.5293-5299
Journal article

Band-selective dynamics in charge-transfer excited iron carbene complexes

Pavel Chábera, Lisa A. Fredin, Kasper S. Kjær, Nils W. Rosemann, Linnea Lindh, et al.
(2019) Faraday Discussions, 216 p.191-210
Journal article

Finding intersections between electronic excited state potential energy surfaces with simultaneous ultrafast X-ray scattering and spectroscopy

Kasper S. Kjær, Tim B. Van Driel, Tobias C.B. Harlang, Kristjan Kunnus, Elisa Biasin, et al.
(2019) Chemical Science, 10 p.5749-5760
Journal article

How Will the Emerging Plurality of Lives Change? : How We Conceive of and Relate to Life?

Erik Persson, Jessica Abbott, Christian Balkenius, Anna Cabak Rédei, Klara Anna Capova, et al.
(2019) Challenges
Journal article

Luminescence and reactivity of a charge-transfer excited iron complex with nanosecond lifetime

Kasper Skov Kjær, Nidhi Kaul, Om Prakash, Pavel Chábera, Nils W. Rosemann, et al.
(2019) Science, 363 p.249-253
Journal article

Design, Synthesis and Computational Study of Fluorinated Quinoxaline-Oligothiophene-based Conjugated Polymers with Broad Spectral Coverage

Desta Gedefaw, Svante Hedström, Yuxin Xia, Petter Persson, Mats R. Andersson
(2018) ChemPhysChem, 19 p.3393-3400
Journal article

Fe^II Hexa N-Heterocyclic Carbene Complex with a 528 ps Metal-To-Ligand Charge-Transfer Excited-State Lifetime

Pavel Chábera, Kasper S. Kjaer, Om Prakash, Alireza Honarfar, Yizhu Liu, et al.
(2018) Journal of Physical Chemistry Letters, 9 p.459-463
Journal article

Solvent control of charge transfer excited state relaxation pathways in [Fe(2,2′-bipyridine)(CN)₄]^2-

Kasper S. Kjær, Kristjan Kunnus, Tobias C.B. Harlang, Tim B. Van Driel, Kathryn Ledbetter, et al.
(2018) Physical Chemistry Chemical Physics, 20 p.4238-4249
Journal article

Tracking the picosecond deactivation dynamics of a photoexcited iron carbene complex by time-resolved X-ray scattering

Denis Leshchev, Tobias C.B. Harlang, Lisa A. Fredin, Dmitry Khakhulin, Yizhu Liu, et al.
(2018) Chemical Science, 9 p.405-414
Journal article

Quantum chemical calculations of the structural influence on electronic properties in TiO₂ nanocrystals

MARTA GALYNSKA, Petter Persson
(2017) Molecular Physics, 115 p.2209-2217
Journal article

Electronic structure and excited state properties of iron carbene photosensitizers - A combined X-ray absorption and quantum chemical investigation

Fredric Ericson, Alireza Honarfar, Om Prakash, Hideyuki Tatsuno, Lisa A. Fredin, et al.
(2017) Chemical Physics Letters, 683 p.559-566
Journal article

Ultrafast Electron Dynamics in Solar Energy Conversion

Carlito S. Ponseca, Pavel Chábera, Jens Uhlig, Petter Persson, Villy Sundström
(2017) Chemical Reviews, 117 p.10940-11024
Journal article

Ligand manipulation of charge transfer excited state relaxation and spin crossover in [Fe(2,2'-bipyridine)₂(CN)₂]

Kasper S. Kjær, Wenkai Zhang, Roberto Alonso-Mori, Uwe Bergmann, Matthieu Chollet, et al.
(2017) Structural Dynamics, 4
Journal article

A low-spin Fe(iii) complex with 100-ps ligand-to-metal charge transfer photoluminescence

Pavel Chábera, Yizhu Liu, Om Prakash, Erling Thyrhaug, Amal El Nahhas, et al.
(2017) Nature, 543 p.695-699
Journal article

Defining donor and acceptor strength in conjugated copolymers

Svante Hedström, Ergang Wang, Petter Persson
(2017) Molecular Physics, 115 p.485-496
Journal article

Computational characterization of competing energy and electron transfer states in bimetallic donor-acceptor systems for photocatalytic conversion

Lisa A. Fredin, Petter Persson
(2016) Journal of Chemical Physics, 145
Journal article

Fe N-Heterocyclic Carbene Complexes as Promising Photosensitizers

Yizhu Liu, Petter Persson, Villy Sundström, Kenneth Wärnmark
(2016) Accounts of Chemical Research, 49 p.1477-1485
Journal article

Molecular and Interfacial Calculations of Iron(II) Light Harvesters

Lisa A. Fredin, Kenneth Wärnmark, Villy Sundström, Petter Persson
(2016) ChemSusChem, 9 p.667-675
Journal article

High-Performance Hole Transport and Quasi-Balanced Ambipolar OFETs Based on D–A–A Thieno-benzo-isoindigo Polymers

David Ian James, Suhao Wang, Wei Ma, Svante Hedström, Xiangyi Meng, et al.
(2016) Advanced Electronic Materials, 2
Journal article

Diastereomerization Dynamics of a Bistridentate Ru^II Complex

Martin Jarenmark, Göran Carlström, Lisa A. Fredin, Joachim Hedberg Wallenstein, Isa Doverbratt, et al.
(2016) Inorganic Chemistry, 55 p.3015-3022
Journal article

Manipulating charge transfer excited state relaxation and spin crossover in iron coordination complexes with ligand substitution

Wenkai Zhang, Kasper S. Kjær, Roberto Alonso-Mori, Uwe Bergmann, Matthieu Chollet, et al.
(2016) Chemical Science, 8 p.515-523
Journal article

Chemical consequences of pyrazole orientation in Ru^II complexes of unsymmetric quinoline-pyrazole ligands

Joachim Hedberg Wallenstein, Lisa A. Fredin, Martin Jarenmark, Maria Abrahamsson, Petter Persson
(2016) Dalton Transactions, 45 p.11723-11732
Journal article

Ultrafast excited state dynamics of [Cr(CO)₄(bpy)] : Revealing the relaxation between triplet charge-transfer states

Fei Ma, Martin Jarenmark, Svante Hedström, Petter Persson, Ebbe Nordlander, et al.
(2016) RSC Advances, 6 p.20507-20515
Journal article

Temperature-Dependent Optical Properties of Flexible Donor - Acceptor Polymers

Svante Hedström, Patrik Henriksson, Ergang Wang, Mats R. Andersson, Petter Persson
(2015) Journal of Physical Chemistry C, 119 p.6453-6463
Journal article

D-A(1)-D-A(2) Copolymers with Extended Donor Segments for Efficient Polymer Solar Cells

Qiang Tao, Yuxin Xia, Xiaofeng Xu, Svante Hedström, Olof Backe, et al.
(2015) Macromolecules, 48 p.1009-1016
Journal article

Rational design of D-A1-D-A2 conjugated polymers with superior spectral coverage.

Svante Hedström, Qiang Tao, Ergang Wang, Petter Persson
(2015) Physical Chemistry Chemical Physics, 17 p.26677-26689
Journal article

Iron sensitizer converts light to electrons with 92% yield.

Tobias Harlang, Yizhu Liu, Olga Gordivska, Lisa Fredin, Carlito Ponseca, et al.
(2015) Nature Chemistry, 7 p.883-889
Journal article

One-Step Synthesis of Precursor Oligomers for Organic Photovoltaics: A Comparative Study between Polymers and Small Molecules

Wei Li, Daojuan Wang, Suhao Wang, Wei Ma, Svante Hedström, et al.
(2015) ACS Applied Materials and Interfaces, 7 p.27106-27114
Journal article

Exploring Photoinduced Excited State Evolution in Heterobimetallic Ru(II)-Co(III) Complexes

Korina Kuhar, Lisa Fredin, Petter Persson
(2015) The Journal of Physical Chemistry Part B, 119 p.7378-7392
Journal article

A Heteroleptic Ferrous Complex with Mesoionic Bis(1,2,3-triazol-5-ylidene) Ligands: Taming the MLCT Excited State of Iron(II).

Yizhu Liu, Kasper Kjaer, Lisa Fredin, Pavel Chabera, Tobias Harlang, et al.
(2015) Chemistry: A European Journal, 21 p.3628-3639
Journal article

Orbital Topology Controlling Charge Injection in Quantum-Dot-Sensitized Solar Cells

Thorsten Hansen, Karel Zidek, Kaibo Zheng, Mohamed Qenawy, Pavel Chabera, et al.
(2014) The Journal of Physical Chemistry Letters, 5 p.1157-1162
Journal article

Light-harvesting capabilities of low band gap donor-acceptor polymers.

Svante Hedström, Patrik Henriksson, Ergang Wang, Mats R Andersson, Petter Persson
(2014) Physical Chemistry Chemical Physics, 16 p.24853-24865
Journal article

A Homoleptic Trisbidentate Ru(II) Complex of a Novel Bidentate Biheteroaromatic Ligand Based on Quinoline and Pyrazole Groups: Structural, Electrochemical, Photophysical, and Computational Characterization.

Martin Jarenmark, Lisa Fredin, Joachim H J Hedberg, Isa Doverbratt, Petter Persson, et al.
(2014) Inorganic Chemistry, 53 p.12778-12790
Journal article

Material Dependence of Water Interactions with Metal Oxide Nanoparticles: TiO2, SiO2, GeO2, and SnO2

Marta Galynska, Petter Persson
(2014) Advances in Quantum Chemistry, 69 p.303-332
Journal article review

Development of a ReaxFF Reactive Force Field for Titanium Dioxide/Water Systems

Sung-Yup Kim, Nitin Kumar, Petter Persson, Jorge Sofo, Adri C. T. van Duin, et al.
(2013) Langmuir, 29 p.7838-7846
Journal article

Conformation sensitive charge transport in conjugated polymers

L. Mattias Andersson, Svante Hedström, Petter Persson
(2013) Applied Physics Letters, 103
Journal article

Emerging Polymorphism in Nanostructured TiO2: Quantum Chemical Comparison of Anatase, Rutile, and Brookite Clusters

Marta Galynska, Petter Persson
(2013) International Journal of Quantum Chemistry, 113 p.2611-2620
Journal article

Tuning the Electronics of Bis(tridentate)ruthenium(II) Complexes with Long-Lived Excited States: Modifications to the Ligand Skeleton beyond Classical Electron Donor or Electron Withdrawing Group Decorations

Giovanny A. Parada, Lisa Fredin, Marie-Pierre Santoni, Michael Jaeger, Reiner Lomoth, et al.
(2013) Inorganic Chemistry, 52 p.5128-5137
Journal article

Quantum Chemical Calculations of Side-Group Stacking and Electronic Properties in Thiophene-Quinoxaline Polymers

Svante Hedström, Petter Persson
(2012) Journal of Physical Chemistry C, 116 p.26700-26706
Journal article

Photoinduced electron transfer processes in dye-semiconductor systems with different spacer groups

Jingrui Li, Haobin Wang, Petter Persson, Michael Thoss
(2012) Journal of Chemical Physics, 137
Journal article

Computational study of the catalytic effect of platinum on the decomposition of DNT

Annika Lenz, Anna Pohl, Lars Ojamae, Petter Persson
(2012) International Journal of Quantum Chemistry, 112 p.1852-1858
Journal article

Excited state potential energy surfaces of bistridentate Ru-II complexes - A TD-DFT study

Tomas Österman, Petter Persson
(2012) Chemical Physics, 407 p.76-82
Journal article

Influence of Triplet State Multidimensionality on Excited State Lifetimes of Bis-tridentate Ru(II) Complexes: A Computational Study

Tomas Österman, Maria Abrahamsson, Hans-Christian Becker, Leif Hammarstrom, Petter Persson
(2012) The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 116 p.1041-1050
Journal article

Light-harvesting and electronic contacting capabilities of Ru(II) Ipa rod and star complexes-first principles predictions

Petter Persson, Marta Galynska, Elena Galoppini
(2012) RSC Advances, 2 p.7868-7874
Journal article

The electronic structure and reflectivity of PEDOT:PSS from density functional theory

Annika Lenz, Hans Kariis, Anna Pohl, Petter Persson, Lars Ojamae
(2011) Chemical Physics, 384 p.44-51
Journal article

Calculations of interfacial interactions in pyrene-Ipa rod sensitized nanostructured TiO2

S. Pal, E. Galoppnini, Villy Sundström, Petter Persson
(2009) Dalton Transactions, 45 p.10021-10031
Journal article

Large Footprint Pyrene Chromophores Anchored to Planar and Colloidal Metal Oxide Thin Films

S. Thyagarajan, Elena Galoppini, Petter Persson, J. M. Giamuccio, G. J. Meyer
(2009) Langmuir, 25 p.9219-9226
Journal article

Computational Characterization of Ruthenium Bistripyrrin Sensitizers

Petter Persson
(2009) Inorganic Chemistry Communications
Journal article (letter)

Meta-substituted Ru(II) rigid rods for sensitization of TiO(2)

Maria Abrahamsson, G. J. Meyer, Petter Persson, O. Taratula, E. Galoppini
(2009) Journal of Photochemistry and Photobiology, A: Chemistry, 206 p.155-163
Journal article

Frequency dispersed transient absorption spectra of dissolved perylene: A case study using the density matrix version of the MCTDH method

Ben Brueggemann, Petter Persson, Hans-Dieter Meyer, Volkhard Maya
(2008) Chemical Physics, 347 p.152-165
Journal article

Steric influence on the excited-state lifetimes of ruthenium complexes with bipyridyl-alkanylene-pyridyl Ligands

Maria Abrahamsson, Maria J. Lundqvist, Henriette Wolpher, Olof Johansson, Lars Eriksson, et al.
(2008) Inorganic Chemistry, 47 p.3540-3548
Journal article

Computational Study of the Lowest Triplet State of Ruthenium Polypyridyl Complexes Used in Artificial Photosynthesis.

O Borg, Sofia Godinho, Maria Lundqvist, Sten Lunell, Petter Persson
(2008) The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 112 p.4470-4476
Journal article

On the excited-state multi-dimensionality in cyanines

Benjamin Dietzek, Ben Brüggemann, Petter Persson, Arkady Yartsev
(2008) Chemical Physics Letters, 455 p.13-19
Journal article

Dynamical simulation of photoinduced electron transfer reactions in dye-semiconductor systems with different anchor groups

Jingrui Li, Mattias Nilsing, Ivan Kondov, Haobin Wang, Petter Persson, et al.
(2008) Journal of Physical Chemistry C, 112 p.12326-12333
Journal article

Development and Application of a ReaxFF Reactive Force Field for Oxidative Dehydrogenation on Vanadium Oxide Catalysts

Kimberly Chenoweth, Adri C. T. van Duin, Petter Persson, M.-J. Cheng, J. Oxgaard, et al.
(2008) Journal of Physical Chemistry C, 112 p.14645-14654
Journal article

Bistridentate Ruthenium(II)polypyridyl-Type Complexes with Microsecond (MLCT)-M-3 State Lifetimes: Sensitizers for Rod-Like Molecular Arrays

Maria Abrahamsson, Michael Jager, Rohan J. Kumar, Tomas Österman, Petter Persson, et al.
(2008) Journal of the American Chemical Society, 130 p.15533-15542
Journal article

Cyclometallated iridium and platinum complexes with noninnocent ligands

Bhavna Hirani, Jian Li, Peter I. Djurovich, Muhammed Yousufuddin, Jonas Oxgaard, et al.
(2007) Inorganic Chemistry, 46 p.3865-3875
Journal article

Calculated optoelectronic properties of ruthenium tris-bipyridine dyes containing oligophenyleneethynylene rigid rod linkers in different chemical environments

M. J. Lundqvist, E. Galoppini, G. J. Meyer, Petter Persson
(2007) The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 111 p.1487-1497
Journal article

Dye-sensitization of the TiO2 rutile (110) surface by perylene dyes: Quantum-chemical periodic B3LYP computations

Mattias Nilsing, Petter Persson, Sten Lunell, Lars Ojamaee
(2007) Journal of Physical Chemistry C, 111 p.12116-12123
Journal article

Electronic Coupling Calculations for Ultrafast Photoinduced Charge-Transfer Processes from Aromatic Adsorbates to TiO2 Nanocrystals

Petter Persson, M. J. Lundqvist
(2006) Proceedings / Electrochemical society, 2004-22 p.27-37
Conference paper

Structure of Tetrafluorocyclopropane, Hexafluorocyclobutene, Octofluorocyclopentene, and Related Perfluoroalkene Radical Anions Revealed by ESR Spectroscopic and Computational Studies

M. Shiotani, Petter Persson, S. Lunell, A. Lund, Ff. Williams
(2006) The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 110 p.6307-6323
Journal article

Photochemistry of bromofluorobenzenes

OA Borg, Ya-Jun Liu, Petter Persson, S Lunell, D Karlsson, et al.
(2006) The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 110 p.7045-7056
Journal article

Development of the ReaxFF Reactive Force Field for Mechanistic Studies of Catalytic Selective Oxidation Processes on BiMoOx

W. A. Goddard III, A. C. T. van Duin, K. Chenoweth, M.-J. Cheng, S. Pudar, et al.
(2006) Topics in Catalysis, 38 p.93-103
Journal article

DFT Modeling of Bare and Dye-sensitized TiO2 Nanocrystals

M. J. Lundqvist, M. Nilsing, Petter Persson
(2006) International Journal of Quantum Chemistry, 106 p.3214-3234
Journal article

Quantum-chemical calculations of dye-sensitized semiconductor nanocrystals

Petter Persson, M Lundqvist, M Nilsing, A.C.T. Van Duin, W.A. Goddard III
(2006) Physical Chemistry of Interfaces and Nanomaterials V, 6325 p.3250-3250
Conference paper

Quantum Chemical Study of the Influence of Anchor-Cum-Spacer Groups on Femtosecond Electron Transfer Times in Dye-Sensitized Semiconductor Nanocrystals

Petter Persson, M. J. Lundqvist, R. Ernstorfer, W. A. Goddard III, Frank Willig
(2006) Journal of Chemical Theory and Computation, 2 p.441-451
Journal article

Spacer and anchor effects on the electronic coupling in ruthenium-bis-terpyridine dye-sensitized TiO2 nanocrystals studied by DFT

Maria J. Lundqvist, Mattias Nilsing, Sten Lunell, Bjorn Akermark, Petter Persson
(2006) The Journal of Physical Chemistry Part B, 110 p.20513-20525
Journal article

Calculated Structural and Electronic Interactions of a Titanium Dioxide Nanocrystal Sensitized with the Ruthenium Dye N3

Petter Persson, M. J. Lundqvist
(2005) The Journal of Physical Chemistry Part B, 109 p.11918-11924
Journal article

Ultrafast Spacer Controlled Interfacial Electron Transfer: Comparison Between Experimental Data and Theory

F. Willig, R. Ernstorfer, L. Gundlach, S. Felber, R. Eichberger, et al.
(2005) Abstracts of papers / American Chemical Society, 229 p.715-715
Conference paper: abstract

Density Functional Theory Study of NO Adsorbed in A-Zeolite

Y.-J. Liu, A. Lund, Petter Persson, S. Lunell
(2005) The Journal of Physical Chemistry Part B, 109 p.7948-7951
Journal article

Direct ESR Evidence for SH2 Type Reaction of a Methyl Radical with Methylsilane and Methylgermane in a Low Temperature Solid: a Deuterium Labelling Study

K. Komaguchi, D. Norberg, N. Nakazawa, M. Shiotani, Petter Persson, et al.
(2005) Chemical Physics Letters, 410 p.1-5
Journal article (letter)

Anchor Group Influence on Molecule-Metal Oxide Interfaces: Periodic Hybrid DFT Study of Pyridine Bound to TiO2 via Carboxylic and Phosphonic Acid

M. Nilsing, Petter Persson, L. Ojamäe
(2005) Chemical Physics Letters, 415 p.375-380
Journal article (letter)

Phosphonic Acid Adsorption at the TiO2 anatase (101) surface investigated by periodic hybrid HF-DFT computations

M. Nilsing, S. Lunell, Petter Persson, L. Ojamäe
(2005) Surface Science, 582 p.49-60
Journal article

Multireference Calculations of the Phosphorescence and Photodissociation of Chlorobenzene

Y.-J. Liu, Petter Persson, S. Lunell
(2004) Journal of Chemical Physics, 121 p.11000-11006
Journal article

Theoretical Study of the Fast Photodissociation Channels of the Monohalobenzenes

Y.-J. Liu, Petter Persson, S. Lunell
(2004) The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 108 p.2339-2345
Journal article

Theoretical Study of Photodissociation of Low Lying Excited States of Hydrogen Peroxide

Y.-J. Liu, Petter Persson, Sten Lunell
(2004) Molecular Physics, 102 p.2575-2584
Journal article

Photodissociation of Bromobenzene, Dibromobenzene, and 1,3,5-Tribromobenzene

Y.-J. Liu, Petter Persson, H. O. Karlsson, S. Lunell, M. Kadi, et al.
(2004) Journal of Chemical Physics, 120 p.6502-6509
Journal article

Electronic Coupling and Coherence Effects in Ultrafast Heterogeneous Electron Transfer

C. Zimmerman, F. Willig, S. Ramakrishna, R. Eichberger, R. Ernstorfer, et al.
(2003) Springer Series in Chemical Physics, 71 p.328-330
Conference paper

The Smallest Possible Nanocrystals of Semiionic Oxides

Petter Persson, J. C. M. Gebhardt, S. Lunell
(2003) Journal of Chemical Physics, 107 p.3336-3339
Journal article

Bi-isonicotinic acid on TiO2 rutile (110): calculated molecular and electronic structure

M. Odelius, Petter Persson, Sten Lunell
(2003) Surface Science, 529 p.47-58
Journal article

PES Studies of Ru(dcbpyH2)2(NCS)2 Adsorption on Nanostructured ZnO for Solar Cell Applications

K. Westermark, H. Rensmo, H. Siegbahn, K. Keis, A. Hagfeldt, et al.
(2002) The Journal of Physical Chemistry Part B, 106 p.10102-10107
Journal article

Quantum-Chemical Studies of Metal Oxides for Photoelectrochemical Applications

Petter Persson, R. Bergström, L. Ojamäe, S. Lunell
(2002) Advances in Quantum Chemistry, 41 p.203-263
Journal article review

Electron Dynamics within Ru-2,2'-Bipyridine Complexes - an N1s Core Level Study

K. Westermark, H. Rensmo, J. Schnadt, Petter Persson, S. Södergren, et al.
(2002) Chemical Physics, 285 p.167-176
Journal article

Quantum-chemical prediction of the adsorption conformations and dynamics at HCOOH covered ZnO(10-10)

Petter Persson, Lars Ojamäe, Sten Lunell
(2002) International Journal of Quantum Chemistry, 89 p.172-180
Journal article

Electronic Interactions at romatic-Metal Oxide Interfaces Calculated from First Principles

Petter Persson, S. Lunell, L. Ojamäe
(2002) Chemical Physics Letters, 364 p.469-474
Journal article (letter)

Experimental evidence for sub-3-fs charge transfer from an aromatic adsorbate to a semiconductor

Joachim Schnadt, Paul A. Brühwiler, Luc Patthey, James N O'Shea, Sven Södergren, et al.
(2002) Nature, 418 p.620-623
Journal article

Triarylamine on Nanocrystalline TiO2 Studied in its Reduced and Oxidized State by Photoelectron Spectroscopy

K. Westermark, S. Tingry, Petter Persson, H. Rensmo, S. Lunell, et al.
(2001) The Journal of Physical Chemistry Part B, 105 p.7182-7187
Journal article

Shake-Up and Shake-Off Excitations and Associated Electron Losses in X-Ray Studies of Proteins

Petter Persson, S. Lunell, A. Szöke, B. Ziaja, J. Hajdu
(2001) Protein Science, 10 p.2480-2484
Journal article

Quantum Chemical Study of Photoinjection Processes in Sensitized TiO2 Nanoparticles

Petter Persson, R. Bergström, S. Lunell
(2000) The Journal of Physical Chemistry Part B, 104 p.10348-10351
Journal article

INDO Calculations of Small Copper Clusters, and CO Adsorbed on Copper (100) Surfaces

Petter Persson, J. Bustad, M. C. Zerner
(2000) Journal of Computational Chemistry, 21 p.1221-1228
Journal article

Periodic Hartree-Fock Study of the Adsorption of Formic Acid on ZnO(10-10)

Petter Persson, L. Ojamäe
(2000) Chemical Physics Letters, 321 p.302-308
Journal article (letter)

Quantum Photoelectrochemistry

Petter Persson
(2000)
Dissertation

Binding of bi-isonicotinic acid to anatase TiO2 (101)

Petter Persson, S. Lunell
(2000) Solar Energy Materials and Solar Cells, 63 p.139-148
Journal article

N1s x-ray Absorption Study of the Bonding Interaction of Bi-Isonicotinic Acid on Rutile TiO2 (110)

Petter Persson, S. Lunell, P. A. Bruhwiler, J. Schnadt, S. Södergren, et al.
(2000) Journal of Chemical Physics, 112 p.3945-3948
Journal article (letter)

Adsorption of Bi-Isonicotinic Acid on Rutile TiO2 (110)

L. Patthey, H. Rensmo, Petter Persson, K. Westermark, L. Vayssieres, et al.
(1999) Journal of Chemical Physics, 110 p.5913-5918
Journal article

High Resolution X-Ray Photoelectron Spectroscopy and INDO/S-CI Study of the Core Electron Shakeup States of PMDA-ODA Polyimide

Y. Nakayama, Petter Persson, S. Lunell, S. P. Kowalczyk, B. Wannberg, et al.
(1999) Journal of Vacuum Science & Technology. A. Vacuum, Surfaces, and Films, 17 p.2791-2799
Journal article

Petter Persson

Publications

Research group member(s)