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Julia Wiktor · SciRah

Researcher profile · Semantic Scholar

Julia Wiktor

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Julia Wiktor — researcher profile on SciRah

h-index: 28
Works: 66
Citations: 2,910

Most-cited papers

Recent developments in the ABINIT software package
X. Gonze, F. Jollet, Flavio Abreu Araujo, Donat Adams +51 more
2016Computer Physics Communications811 citations Open access
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ABINIT: Overview and focus on selected capabilities.
A. Romero, D. C. Allan, B. Amadon, G. Antonius +39 more
2020Journal of Chemical Physics311 citations Open access
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Predictive Determination of Band Gaps of Inorganic Halide Perovskites.
Julia Wiktor, U. Rothlisberger, Alfredo Pasquarello
2017Journal of Physical Chemistry Letters122 citations Open access
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Identification of lead vacancy defects in lead halide perovskites
D. Keeble, Julia Wiktor, Sandeep Kumar Pathak, L. Phillips +4 more
2021Nature Communications121 citations Open access
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Role of Polarons in Water Splitting: The Case of BiVO4
Julia Wiktor, Francesco Ambrosio, Alfredo Pasquarello
2018ACS Energy Letters102 citations Open access
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Origin of low electron–hole recombination rate in metal halide perovskites
Francesco Ambrosio, Julia Wiktor, F. De Angelis, Alfredo Pasquarello
201890 citations Open access
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DFT + U investigation of charged point defects and clusters in UO2
Emerson Vathonne, Julia Wiktor, M. Freyss, G. Jomard +1 more
2014Journal of Physics: Condensed Matter76 citations Open access
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Phase Transitions in Inorganic Halide Perovskites from Machine-Learned Potentials
E. Fransson, Julia Wiktor, P. Erhart
2023Journal of Physical Chemistry C66 citations Open access
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pH-Dependent Surface Chemistry from First Principles: Application to the BiVO4(010)-Water Interface.
Francesco Ambrosio, Julia Wiktor, Alfredo Pasquarello
2018ACS Applied Materials and Interfaces66 citations Open access
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Surface Polarons Reducing Overpotentials in the Oxygen Evolution Reaction
Patrick Gono, Julia Wiktor, Francesco Ambrosio, Alfredo Pasquarello
2018ACS Catalysis53 citations Open access
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Influence of Oxygen Vacancies on the Structure of BiVO4
Nicklas Österbacka, Julia Wiktor
202152 citations Open access
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pH-Dependent Catalytic Reaction Pathway for Water Splitting at the BiVO4–Water Interface from the Band Alignment
Francesco Ambrosio, Julia Wiktor, Alfredo Pasquarello
201852 citations Open access
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Electron and Hole Polarons at the BiVO4-Water Interface.
Julia Wiktor, Alfredo Pasquarello
2019ACS Applied Materials and Interfaces47 citations Open access
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Comprehensive modeling of the band gap and absorption spectrum of BiVO4
Julia Wiktor, I. Reshetnyak, Francesco Ambrosio, Alfredo Pasquarello
201744 citations Open access
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Two-component density functional theory within the projector augmented-wave approach: Accurate and self-consistent computations of positron lifetimes and momentum distributions
Julia Wiktor, G. Jomard, M. Torrent
201543 citations
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Quantifying Dynamic Tilting in Halide Perovskites: Chemical Trends and Local Correlations
Julia Wiktor, E. Fransson, D. Kubicki, P. Erhart
2023Chemistry of Materials41 citations Open access
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Revealing the Free Energy Landscape of Halide Perovskites: Metastability and Transition Characters in CsPbBr3 and MAPbI3
E. Fransson, J. Rahm, Julia Wiktor, P. Erhart
2023Chemistry of Materials39 citations Open access
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Absolute deformation potentials of two-dimensional materials
Julia Wiktor, Alfredo Pasquarello
201639 citations Open access
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Finite-size corrections of defect energy levels involving ionic polarization
S. Falletta, Julia Wiktor, Alfredo Pasquarello
2020Physical review B37 citations Open access
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Reaction Mechanism of Photocatalytic Hydrogen Production at Water/Tin Halide Perovskite Interfaces
D. Ricciarelli, W. Kaiser, E. Mosconi, Julia Wiktor +4 more
2022ACS Energy Letters33 citations Open access
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Nonempirical hybrid functionals for band gaps of inorganic metal-halide perovskites
T. Bischoff, Julia Wiktor, Wei Chen, Alfredo Pasquarello
201933 citations Open access
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Electric Field and Strain Tuning of 2D Semiconductor van der Waals Heterostructures for Tunnel Field-Effect Transistors
K. Iordanidou, Richa Mitra, N. Shetty, S. Lara-Avila +3 more
2022ACS Applied Materials and Interfaces32 citations Open access
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Coupled experimental and DFT +U investigation of positron lifetimes in UO 2
Julia Wiktor, M. Barthe, G. Jomard, M. Torrent +2 more
201432 citations Open access
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Charge Localization in Defective BiVO4
Nicklas Österbacka, Francesco Ambrosio, Julia Wiktor
202231 citations Open access
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Positron annihilation spectroscopy investigation of vacancy clusters in silicon carbide: Combining experiments and electronic structure calculations
Julia Wiktor, X. Kerbiriou, G. Jomard, S. Esnouf +2 more
201431 citations
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Strong Electron Localization in Tin Halide Perovskites
Hassan Ouhbi, Francesco Ambrosio, F. De Angelis, Julia Wiktor
2021Journal of Physical Chemistry Letters30 citations Open access
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Note: Assessment of the SCAN+rVV10 functional for the structure of liquid water.
Julia Wiktor, Francesco Ambrosio, Alfredo Pasquarello
2017Journal of Chemical Physics30 citations Open access
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Sizable Excitonic Effects Undermining the Photocatalytic Efficiency of β-Cu2V2O7.
Julia Wiktor, I. Reshetnyak, M. Strach, M. Scarongella +2 more
2018Journal of Physical Chemistry Letters29 citations Open access
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Spontaneous Oxygen Vacancy Ionization Enhances Water Oxidation on BiVO4
Nicklas Österbacka, Hassan Ouhbi, Francesco Ambrosio, Julia Wiktor
2023ACS Energy Letters28 citations Open access
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Molecular dynamics study of the bulk temperature effect on primary radiation damage in uranium dioxide
G. Martin, C. Sabathier, Julia Wiktor, S. Maillard
201528 citations
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Small Electron Polarons in CsPbBr3: Competition between Electron Localization and Delocalization
Nicklas Österbacka, P. Erhart, S. Falletta, Alfredo Pasquarello +1 more
202027 citations Open access
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Direct, Indirect, and Self-Trapped Excitons in Cs2AgBiBr6
Mehmet Baskurt, Paul Erhart, Julia Wiktor
2024Journal of Physical Chemistry Letters25 citations Open access
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Electronic structure investigation of energetics and positron lifetimes of fully relaxed monovacancies with various charge states in 3C-SiC and 6H-SiC
Julia Wiktor, G. Jomard, M. Torrent, M. Bertolus
201325 citations Open access
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Mechanism suppressing charge recombination at iodine defects in CH3NH3PbI3 by polaron formation
Julia Wiktor, Francesco Ambrosio, Alfredo Pasquarello
201824 citations Open access
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Atomic-Level Description of Thermal Fluctuations in Inorganic Lead Halide Perovskites
O. Cannelli, Julia Wiktor, N. Colonna, L. Leroy +9 more
2021Journal of Physical Chemistry Letters23 citations Open access
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Strong Hole Trapping Due to Oxygen Dimers in BiVO4: Effect on the Water Oxidation Reaction.
Francesco Ambrosio, Julia Wiktor
2019Journal of Physical Chemistry Letters22 citations
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Accelerating water oxidation on BiVO4 photoanodes via surface modification with Co dopants
Mahsa Barzgar Vishlaghi, A. Kahraman, Nicklas Österbacka, Emre Usman +4 more
2023Journal of Materials Chemistry A20 citations
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Electron Localization and Mobility in Monolayer Fullerene Networks.
A. Capobianco, Julia Wiktor, Alessandro Landi, Francesco Ambrosio +1 more
2024Nano letters (Print)19 citations
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Charge Localization in Cs2AgBiBr6 Double Perovskite: Small Polarons and Self-Trapped Excitons
Mehmet Baskurt, Julia Wiktor
2023Journal of Physical Chemistry C18 citations Open access
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Cubic or Not Cubic? Combined Experimental and Computational Investigation of the Short-Range Order of Tin Halide Perovskites
M. Morana, Julia Wiktor, M. Coduri, R. Chiara +5 more
2023Journal of Physical Chemistry Letters15 citations Open access
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Oxygen Evolution at the BiVO4–Water Interface: Mechanism of the Water Dehydrogenation Reaction
Sai Lyu, Julia Wiktor, Alfredo Pasquarello
2022ACS Catalysis15 citations Open access
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Scalable Fabrication of Edge Contacts to 2D Materials: Implications for Quantum Resistance Metrology and 2D Electronics
N. Shetty, Hans He, Richa Mitra, Johanna Huhtasaari +8 more
2022ACS Applied Nano Materials15 citations Open access
Semantic Scholar
Ab Initio Insights into Charge Localization in Bismuth Oxyhalides BiOX (X = F, Cl, Br, I)
Hassan Ouhbi, Julia Wiktor
2022Journal of Physical Chemistry C14 citations Open access
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Impact of Organic Spacers and Dimensionality on Templating of Halide Perovskites
E. Fransson, Julia Wiktor, P. Erhart
2024ACS Energy Letters12 citations Open access
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Polaron formation and hopping in tantalate perovskite oxides: NaTaO3 and KTaO3
Hassan Ouhbi, Julia Wiktor
2021Physical review B11 citations Open access
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Low-Frequency Dielectric Response of the Tetragonal Perovskite CH3NH3PbI3.
E.-M. Berger, Julia Wiktor, Alfredo Pasquarello
2020Journal of Physical Chemistry Letters11 citations Open access
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Partial Molar Volumes of Aqua Ions from First Principles.
Julia Wiktor, F. Bruneval, Alfredo Pasquarello
2017Journal of Chemical Theory and Computation11 citations Open access
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Charge Localization in Acene Crystals from Ab Initio Electronic Structure
Francesco Ambrosio, Julia Wiktor, Alessandro Landi, A. Peluso
2023Journal of Physical Chemistry Letters9 citations Open access
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First-principles calculations of momentum distributions of annihilating electron–positron pairs in defects in UO2
Julia Wiktor, G. Jomard, M. Torrent, M. Bertolus
2017Journal of Physics: Condensed Matter8 citations Open access
Semantic Scholar
Fully self-consistent calculations of momentum distributions of annihilating electron-positron pairs in SiC
Julia Wiktor, G. Jomard, M. Torrent, M. Barthe +1 more
20168 citations Open access
Semantic Scholar

Frequent co-authors

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Alfredo Pasquarello×19
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Francesco Ambrosio×16
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G. Jomard×9
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M. Torrent×7
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Nicklas Österbacka×5

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Hassan Ouhbi×4

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F. De Angelis×3

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