Nicklas Österbacka

Showing 11 publications

2025
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Untangling the Raman spectra of cubic and tetragonal BaZrO3

Petter Rosander, Erik Fransson, Nicklas Österbacka et al
Physical Review B. Vol. 111 (6)
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2025
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Optical line shapes of color centers in solids from classical autocorrelation functions

Christopher Linderälv, Nicklas Österbacka, Julia Wiktor et al
npj Computational Materials. Vol. 11 (1)
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2024
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Spontaneous Oxygen Vacancy Ionization Enhances Water Oxidation on BiVO<inf>4</inf>

Nicklas Österbacka, Hassan Ouhbi, Francesco Ambrosio et al
ACS Energy Letters. Vol. 9 (1), p. 153-158
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2024
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Tensorial Properties via the Neuroevolution Potential Framework: Fast Simulation of Infrared and Raman Spectra

Nan Xu, Petter Rosander, Christian Schäfer et al
Journal of Chemical Theory and Computation. Vol. 20 (8), p. 3273-3284
Journal article
2024

Modelling of Defects in Semiconductors

Nicklas Österbacka
Doctoral thesis
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2024

calorine: A Python package for constructing and sampling neuroevolution potential models

Eric Lindgren, Magnus Rahm, Erik Fransson et al
Journal of Open Source Software. Vol. 9 (95), p. 6264-6264
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2023

Accelerating water oxidation on BiVO<inf>4</inf> photoanodes via surface modification with Co dopants

Mahsa Barzgar Vishlaghi, Abdullah Kahraman, Nicklas Österbacka et al
Journal of Materials Chemistry A. Vol. 11 (31), p. 16648-16658
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2022
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Charge Localization in Defective BiVO<inf>4</inf>

Nicklas Österbacka, Francesco Ambrosio, Julia Wiktor
Journal of Physical Chemistry C. Vol. 126 (6), p. 2960-2970
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2022
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Defects in Bismuth Vanadate: Insights from First Principles

Nicklas Österbacka
Licentiate thesis
2021
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Influence of Oxygen Vacancies on the Structure of BiVO<inf>4</inf>

Nicklas Österbacka, Julia Wiktor
Journal of Physical Chemistry C. Vol. 125 (2), p. 1200-1207
Journal article
2020
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Small Electron Polarons in CsPbBr₃: Competition between Electron Localization and Delocalization

Nicklas Österbacka, Paul Erhart, Stefano Falletta et al
Chemistry of Materials. Vol. 32 (19), p. 8393-8400
Journal article

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