Research output per year
Research output per year
UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. Our work contributes towards the following SDG(s):
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Dive into the research topics where Electronic Structure Materials is active. These topic labels come from the works of this organisation's members. Together they form a unique fingerprint.
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Profiles
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Sofia Apergi
- Applied Physics, Materials Simulation & Modelling - Doctoral Candidate
- Applied Physics, Electronic Structure Materials
- Applied Physics, Computational Materials Physics
- Applied Physics, Center for Computational Energy Research - Doctoral Candidate
Person: Prom. : doctoral candidate (PhD)
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Geert H.L.A. Brocks
- Applied Physics, Materials Simulation & Modelling - Full Professor
- Applied Physics, Electronic Structure Materials - Full Professor
- Applied Physics, Center for Computational Energy Research - Full Professor
- EIRES Chemistry for Sustainable Energy Systems - Full Professor
Person: HGL : Professor, HGL : Professor
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Haibo Xue
- Applied Physics, Materials Simulation & Modelling - Doctoral Candidate
- Applied Physics, Electronic Structure Materials
- Applied Physics, Computational Materials Physics
- Applied Physics, Center for Computational Energy Research - Doctoral Candidate
Person: Prom. : doctoral candidate (PhD), Prom. : doctoral candidate (PhD)
Research output
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A ReaxFF Molecular Dynamics Study of Hydrogen Diffusion in Ruthenium-The Role of Grain Boundaries
Onwudinanti, C., Pols, M., Brocks, G., Koelman, V., van Duin, A. C. T., Morgan, T. & Tao, S., 7 Apr 2022, In: Journal of Physical Chemistry C. 126, 13, p. 5950–5959 10 p.Research output: Contribution to journal › Article › Academic › peer-review
Open AccessFile4 Downloads (Pure) -
Decomposition of Organic Perovskite Precursors on MoO3: Role of Halogen and Surface Defects
Apergi, S., Koch, C., Brocks, G., Olthof, S. & Tao, S., 2 Feb 2022, (E-pub ahead of print) In: ACS Applied Materials and Interfaces. XX, XResearch output: Contribution to journal › Article › Academic › peer-review
Open Access -
Intrinsic defects in primary halide perovskites: A first-principles study of the thermodynamic trends
Xue, H., Brocks, G. & Tao, S., 12 May 2022, In: Physical Review Materials. 6, 5, 11 p., 055402.Research output: Contribution to journal › Article › Academic › peer-review
Open AccessFile
Datasets
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Complete dataset for publication: Tailoring the performance of ZnO for oxygen evolution by effective transition metal doping
Brocks, G. H. L. A. (Creator), Liang, Q. (Creator), Bieberle, A. (Contributor) & Sinha, V. (Contributor), 4TU.Centre for Research Data, 3 Jun 2021
DOI: 10.4121/14710647
Dataset
Activities
- 2 Contributed talk
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Probing the Chemical Instability of the Perovskite/MoO3 Interface via Precursor Studies
Sofia Apergi (Speaker)
May 2021Activity: Talk or presentation types › Contributed talk › Scientific
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Modifying the Surface of NiO for Perovskite Solar Cells
Sofia Apergi (Speaker)
Nov 2020Activity: Talk or presentation types › Contributed talk › Scientific
Press / Media
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Understanding The Love-Hate Relationship Of Halide Perovskites With The Sun
Geert H.L.A. Brocks, Zehua Chen & Shuxia Tao
10/07/20 → 13/07/20
11 items of Media coverage
Press/Media: Expert Comment
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Hotel Ruthenium: how hydrogen checks in but never leaves
27/05/20
1 item of Media coverage
Press/Media: Expert Comment