Nicklas Österbacka

Visiting Researcher at Condensed Matter and Materials Theory

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Publications (9)
Projects (0)

Showing 9 publications

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

Journal article

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2024

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

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

Journal article

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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

Journal article

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2022

Defects in Bismuth Vanadate: Insights from First Principles

Nicklas Österbacka

Licentiate thesis

2022

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

Journal article

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2021

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

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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