Onderzoeksoutput per jaar
Organisatieprofiel
Introductie / missie
We use simulation to design multifunctional materials and optimize processes related to renewables and energy efficiency
Highlighted phrase
INVENTING MATERIALS TO MEET TODAY'S ENERGY AND ENVIRONMENTAL CHALLENGES
Over de organisatie
The Materials Simulation & Modelling Group (MSM) in the Department of Applied Physics uses high-performance computers to simulate materials that potentially revolutionize renewable energy and green technology. We develop and apply both quantum and classical methods, together covering a comprehensive multiscale approach to studying materials and complex molecules from the atomistic scale to the nanoscale. Systems we currently focusing on include, but are not limited to, porous materials, novel semiconductors and hybrid nanomaterials. These are exciting materials that have a lot to offer. However, to establish unique relations between chemical composition, physical properties and their functionalities in the final application is still a chimera. Our motivation is to use theoretical analysis and computer modelling to “invent” materials that meet the current energy and environmental challenges of our society.
Vingerafdruk Verdiep u in de onderzoeksgebieden waarop Materials Simulation & Modelling actief is. Deze onderwerplabels komen uit het werk van de leden van deze organisatie. Samen vormen ze een unieke vingerafdruk.
Netwerk
Recente externe samenwerking op landenniveau. Duik in de details door op de stippen te klikken.
Profielen
Sofia Apergi
- Department of Applied Physics, Materials Simulation & Modelling - Promovendus
- Department of Applied Physics, Electronic Structure Materials
- Department of Applied Physics, Computational Materials Physics
- Department of Applied Physics, Center for Computational Energy Research - Promovendus
Persoon: Prom. : Promovendus
Geert H.L.A. Brocks
- Department of Applied Physics, Materials Simulation & Modelling - Full Professor, Hoogleraar
- Department of Applied Physics, Electronic Structure Materials - Full Professor
- Department of Applied Physics, Center for Computational Energy Research - Hoogleraar
Persoon: HGL : Hoogleraar, HGL : Hoogleraar
Sofia Calero
- Department of Applied Physics, Materials Simulation & Modelling - Full Professor, Hoogleraar
- Department of Applied Physics, Molecular Simulation and Modelling
Persoon: HGL : Hoogleraar
Onderzoeksoutput
Compositional effect on water adsorption on metal halide perovskites
Li, Q., Chen, Z., Tranca, I., Gaastra-Nedea, S., Smeulders, D. & Tao, S., 1 feb 2021, In : Applied Surface Science. 538, 10 blz., 148058.Onderzoeksoutput: Bijdrage aan tijdschrift › Tijdschriftartikel › Academic › peer review
Open Access
Defect states contributed nanoscale contact electrification at ZnO nanowires packed film surfaces
Song, Y., Wang, N., Fadlallah, M. M., Tao, S., Yang, Y. & Wang, Z. L., jan 2021, In : Nano Energy. 79, 10 blz., 105406.Onderzoeksoutput: Bijdrage aan tijdschrift › Tijdschriftartikel › Academic › peer review
High-throughput screening of metal – Organic frameworks for CO2 and CH4 separation in the presence of water
Rogacka, J., Seremak, A., Luna-Triguero, A., Formalik, F., Matito-Martos, I., Firlej, L., Calero, S. & Kuchta, B., 1 jan 2021, In : Chemical Engineering Journal. 403, 11 blz., 126392.Onderzoeksoutput: Bijdrage aan tijdschrift › Tijdschriftartikel › Academic › peer review
Activiteiten
- 1 Redactioneel werk
Scientific Reports (Tijdschrift)
Shuxia Tao (Lid redactieraad)
jun 2018 → …
Activiteit: Types publicaties van collegiale toetsing en redactioneel werk › Redactioneel werk › Wetenschappelijk
Knipsels
Just like toothpaste: Fluoride radically improves the stability of perovskite solar cells
13/05/19 → 14/05/19
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Pers / media: Vakinhoudelijk commentaar