Dr K.I.E. (Emilia) Olsson
Faculty of Science
ITF
Visiting address
- Science Park 904
Postal address
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Postbus 93019
1090 BA Amsterdam
Contact details
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Profile
Dr Emilia Olsson is an assistant professor of condensed matter theory in the Institute for Theoretical Physics (ITFA) and the group leader of the Materials Theory and Modelling group at the Advanced Research Center for Nanolithography (ARCNL). Her research focuses on atomic scale prediction and understanding of solid-state materials, and applicaiton specific materials design. Pushing materials to extreme limits, materials for novel technologies require atomic level understanding in order to predict, comprehend, and control their properties, with the need for novel fundamental physics methodologies and theories to be developed.
Using cutting-edge density functional theory (DFT) and molecular dynamics (MD), the Materials Theory and Modelling group conducts simulations of bulk, surface, thin-films, and interface systems to explore and design novel materials for energy, semiconductor, lithography applications and beyond. We also expand into larger materials modelling scales, embracing multi scale modelling and machine learning allowing a computational materials design framework to be used in our aim to understand and design interfaces from the atomic scale for next generation technologies. Our atomic scale insights enable novel candidate materials, and breakdown/performance limiting mechanisms in current materials to be identified, leading the development of improved functional materials.
To read more about our research, please visit our departmental and group websites.
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Opportunities
We regularly have opportunities for research projects in our group, and welcome you to be part of the growing Materials Theory and Modelling group!
For PhD or postdoc positions, please see the available job listings below, or send us your CV and cover letter directly if there are no listed open positions.
For internships matching the duration of MSc or BSc projects, we welcome informal applications and project ideas from you as a current BSc or MSc student that are interested in materials modelling.
If you are interested to join us, please contact us at olsson@arcnl.nl or ki.e.olsson@uva.nl
For available positions, please see https://arcnl.nl/jobs/phd-position-application-specific-computational-materials-design
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Publications
2025
- Cottom, J., Cai, Q., & Olsson, E. (2025). Vacancy enhanced Li, Na, and K clustering on graphene. Sustainable energy and fuels, 9(10), 2813-2826. https://doi.org/10.1039/d5se00130g
2024
Cottom, J., Hückmann, L., Olsson, E., & Meyer, J. (2024). From Jekyll to Hyde and Beyond: Hydrogen's Multifaceted Role in Passivation, H-Induced Breakdown, and Charging of Amorphous Silicon Nitride. The Journal of Physical Chemistry Letters, 15(3), 840-848. https://doi.org/10.1021/acs.jpclett.3c03376 [details]- Cottom, J., van Vliet, S., Meyer, J., Bliem, R., & Olsson, E. (2024). Coverage-dependent stability of RuxSiy on Ru(0001): A comparative DFT and XPS study. Physical Chemistry Chemical Physics, 26(46), 28793-28799. https://doi.org/10.1039/d4cp04069d [details]
- Fan, Y., Olsson, E., Johannessen, B., D’Angelo, A. M., Thomsen, L., Cowie, B., Smillie, L., Liang, G., Lei, Y., Bo, G., Zhao, Y., Pang, W. K., Cai, Q., & Guo, Z. (2024). Manipulation of Transition Metal Migration via Cr-Doping for Better-Performance Li-Rich, Co-Free Cathodes. ACS Energy Letters, 9(2), 487-496. https://doi.org/10.1021/acsenergylett.3c02509 [details]
- Payá, S., Díez, N., Cottom, J., Olsson, E., & Sevilla, M. (2024). MgSO4 as an Effective, Low-Temperature Sulfur Dopant for Carbon Materials Enabling Fast Sodium Storage. ACS Applied Energy Materials, 7(21), 10061-10072. https://doi.org/10.1021/acsaem.4c02159 [details]
2023
- Fan, Y., Olsson, E., Liang, G., Wang, Z., D'Angelo, A. M., Johannessen, B., Thomsen, L., Cowie, B., Li, J., Zhang, F., Zhao, Y., Pang, W. K., Cai, Q., & Guo, Z. (2023). Stabilizing Cobalt-free Li-rich Layered Oxide Cathodes through Oxygen Lattice Regulation by Two-phase Ru Doping. Angewandte Chemie - International Edition, 62(5), Article e202213806. https://doi.org/10.1002/anie.202213806, https://doi.org/10.1002/ange.202213806 [details]
- van Vliet, S., Troglia, A., Olsson, E., & Bliem, R. (2023). Identifying silicides via plasmon loss satellites in photoemission of the Ru-Si system. Applied Surface Science, 608, Article 155139. https://doi.org/10.1016/j.apsusc.2022.155139 [details]
2022
- Alptekin, H., Au, H., Olsson, E., Cottom, J., Jensen, A. C. S., Headen, T. F., Cai, Q., Drew, A. J., Crespo Ribadeneyra, M., & Titirici, M. M. (2022). Elucidation of the Solid Electrolyte Interphase Formation Mechanism in Micro-Mesoporous Hard-Carbon Anodes. Advanced Materials Interfaces, 9(8), Article 2101267. Advance online publication. https://doi.org/10.1002/admi.202101267
- Liang, G., Olsson, E., Zou, J., Wu, Z., Li, J., Lu, C. Z., D'Angelo, A. M., Johannessen, B., Thomsen, L., Cowie, B., Peterson, V. K., Cai, Q., Pang, W. K., & Guo, Z. (2022). Introducing 4s–2p Orbital Hybridization to Stabilize Spinel Oxide Cathodes for Lithium-Ion Batteries. Angewandte Chemie - International Edition, 61(27), Article e202201969. https://doi.org/10.1002/anie.202201969, https://doi.org/10.1002/ange.202201969 [details]
- Liang, G., Olsson, E., Zou, J., Wu, Z., Li, J., Lu, C.-Z., D'Angelo, A. M., Johannessen, B., Thomsen, L., Cowie, B., Peterson, V. K., Cai, Q., Pang, W. K., & Guo, Z. (2022). Introducing 4s–2p Orbital Hybridization to Stabilize Spinel Oxide Cathodes for Lithium-Ion Batteries. Angewandte Chemie, 134(27), Article e202201969. https://doi.org/10.1002/ange.202201969, https://doi.org/10.1002/anie.202201969 [details]
- Olsson, E., & Cai, Q. (2022). Computational Studies on Na-Ion Electrode Materials. In Sodium-Ion Batteries: Materials, Characterization, and Technology: Volume 1 (Vol. 1, pp. 259-300). Wiley. https://doi.org/10.1002/9783527825769.ch9
- Olsson, E., Cottom, J., Alptekin, H., Au, H., Crespo-Ribadeneyra, M., Titirici, M. M., & Cai, Q. (2022). Investigating the Role of Surface Roughness and Defects on EC Breakdown, as a Precursor to SEI Formation in Hard Carbon Sodium-Ion Battery Anodes. Small, Article 2200177. https://doi.org/10.1002/smll.202200177 [details]
- Olsson, E., Yu, J., Zhang, H., Cheng, H.-M., & Cai, Q. (2022). Atomic-Scale Design of Anode Materials for Alkali Metal (Li/Na/K)-Ion Batteries: Progress and Perspectives. Advanced Energy Materials, 12(25), Article 2200662. https://doi.org/10.1002/aenm.202200662 [details]
- Wang, J., Ma, Q., Sun, S., Yang, K., Cai, Q., Olsson, E., Chen, X., Wang, Z., Abdelkader, A. M., Li, Y., Yan, W., Ding, S., & Xi, K. (2022). Highly aligned lithiophilic electrospun nanofiber membrane for the multiscale suppression of Li dendrite growth. eScience, 2(6), 655-665. https://doi.org/10.1016/j.esci.2022.09.001 [details]
- Yao, X., Olsson, E., Wang, M., Wang, J., Cai, Q., Peng, N., Webb, R., & Zhao, Y. (2022). Xenon Ion Implantation Induced Surface Compressive Stress for Preventing Dendrite Penetration in Solid-State Electrolytes. Small, 18(23), Article 2108124. https://doi.org/10.1002/smll.202108124 [details]
- Yao, X., Olsson, E., Zhao, J., Feng, W., Luo, W., Tan, S., Huang, M., Zhao, Y., Huang, J., Cai, Q., & Mai, L. (2022). Voltage plateau variation in a bismuth-potassium battery. Journal of Materials Chemistry A, 10(6), 2917-2923. https://doi.org/10.1039/d1ta09292h [details]
2021
- Olsson, E., Cottom, J., & Cai, Q. (2021). Defects in Hard Carbon: Where Are They Located and How Does the Location Affect Alkaline Metal Storage? Small, 17(18), Article 2007652. https://doi.org/10.1002/smll.202007652
- Olsson, E., Cottom, J., Au, H., Titirici, M. M., & Cai, Q. (2021). Investigating the effect of edge and basal plane surface functionalisation of carbonaceous anodes for alkali metal (Li/Na/K) ion batteries. Carbon, 177, 226-243. https://doi.org/10.1016/j.carbon.2021.02.065
- Yu, J., Zhang, H., Olsson, E., Yu, T., Liu, Z., Zhang, S., Huang, X., Li, W., & Cai, Q. (2021). A novel amorphous P4SSe2compound as an advanced anode for sodium-ion batteries in ether-based electrolytes. Journal of Materials Chemistry A, 9(20), 12029-12040. https://doi.org/10.1039/d1ta01218e
- Yu, T., Olsson, E., Lian, G., Liu, L., Huo, F., Zhang, X., & Cai, Q. (2021). Prediction of the Liquid-Liquid Extraction Properties of Imidazolium-Based Ionic Liquids for the Extraction of Aromatics from Aliphatics. Journal of Chemical Information and Modeling, 61(7), 3376-3385. https://doi.org/10.1021/acs.jcim.1c00212
2020
- Au, H., Alptekin, H., Jensen, A. C. S., Olsson, E., O'Keefe, C. A., Smith, T., Crespo-Ribadeneyra, M., Headen, T. F., Grey, C. P., Cai, Q., Drew, A. J., & Titirici, M. M. (2020). A revised mechanistic model for sodium insertion in hard carbons. Energy and Environmental Science, 13(10), 3469-3479. https://doi.org/10.1039/d0ee01363c
- Bai, J., Chen, X., Olsson, E., Wu, H., Wang, S., Cai, Q., & Feng, C. (2020). Synthesis of Bi2S3/carbon nanocomposites as anode materials for lithium-ion batteries. Journal of Materials Science and Technology, 50, 92-102. https://doi.org/10.1016/j.jmst.2020.01.045
- Boyjoo, Y., Shi, H., Olsson, E., Cai, Q., Wu, Z. S., Liu, J., & Lu, G. Q. (2020). Molecular-Level Design of Pyrrhotite Electrocatalyst Decorated Hierarchical Porous Carbon Spheres as Nanoreactors for Lithium–Sulfur Batteries. Advanced Energy Materials, 10(20), Article 2000651. https://doi.org/10.1002/aenm.202000651
- Hussain, T., Olsson, E., Alhameedi, K., Cai, Q., & Karton, A. (2020). Functionalized Two-Dimensional Nanoporous Graphene as Efficient Global Anode Materials for Li-, Na-, K-, Mg-, and Ca-Ion Batteries. Journal of Physical Chemistry C, 124(18), 9734-9745. https://doi.org/10.1021/acs.jpcc.0c01216
- Jensen, A. C. S., Olsson, E., Au, H., Alptekin, H., Yang, Z., Cottrell, S., Yokoyama, K., Cai, Q., Titirici, M. M., & Drew, A. J. (2020). Local mobility in electrochemically inactive sodium in hard carbon anodes after the first cycle. Journal of Materials Chemistry A, 8(2), 743-749. https://doi.org/10.1039/c9ta10113f
- Olsson, E., Cottom, J., Aparicio-Anglès, X., & De Leeuw, N. H. (2020). Combined density functional theory and molecular dynamics study of Sm0.75A0.25Co1-: XMnxO2.88 (A = Ca, Sr; X = 0.125, 0.25) cathode material for next generation solid oxide fuel cell. Physical Chemistry Chemical Physics, 22(2), 692-699. https://doi.org/10.1039/c9cp04892h
- Olsson, E., Cottom, J., Au, H., Guo, Z., Jensen, A. C. S., Alptekin, H., Drew, A. J., Titirici, M. M., & Cai, Q. (2020). Elucidating the Effect of Planar Graphitic Layers and Cylindrical Pores on the Storage and Diffusion of Li, Na, and K in Carbon Materials. Advanced Functional Materials, 30(17), Article 1908209. https://doi.org/10.1002/adfm.201908209
- Olsson, E., Hussain, T., Karton, A., & Cai, Q. (2020). The adsorption and migration behavior of divalent metals (Mg, Ca, and Zn) on pristine and defective graphene. Carbon, 163, 276-287. https://doi.org/10.1016/j.carbon.2020.03.028
- Titirici, M. M., Alptekin, H., Au, H., Jensen, A. C. S., Olsson, E., Goktas, M., Headen, T. F., Adelhelm, P., Cai, Q., & Drew, A. J. (2020). Sodium storage mechanism investigations through structural changes in hard carbons. ACS Applied Energy Materials, 3(10), 9918-9927. https://doi.org/10.1021/acsaem.0c01614
- Zhang, T., Olsson, E., Choolaei, M., Stolojan, V., Feng, C., Wu, H., Wang, S., & Cai, Q. (2020). Synthesis and electrochemical properties of Bi2MoO6/Carbon anode for lithium-ion battery application. Materials, 13(5), Article 1132. https://doi.org/10.3390/ma13051132
2019
- Cottom, J., Bochkarev, A., Olsson, E., Patel, K., Munde, M., Spitaler, J., Popov, M. N., Bosman, M., & Shluger, A. L. (2019). Modeling of Diffusion and Incorporation of Interstitial Oxygen Ions at the TiN/SiO2 Interface. ACS Applied Materials and Interfaces, 11(39), 36232-36243. https://doi.org/10.1021/acsami.9b10705
- Guharoy, U., Ramirez Reina, T., Olsson, E., Gu, S., & Cai, Q. (2019). Theoretical Insights of Ni2P (0001) Surface toward Its Potential Applicability in CO2 Conversion via Dry Reforming of Methane. ACS Catalysis, 9(4), 3487-3497. https://doi.org/10.1021/acscatal.8b04423
- Olsson, E., Cai, Q., Cottom, J., Jakobsen, R., & Shluger, A. L. (2019). Structural, elastic, vibrational and electronic properties of amorphous Sm2O3 from Ab Initio calculations. Computational materials science, 169, Article 109119. https://doi.org/10.1016/j.commatsci.2019.109119
- Olsson, E., Chai, G., Dove, M., & Cai, Q. (2019). Adsorption and migration of alkali metals (Li, Na, and K) on pristine and defective graphene surfaces. Nanoscale, 11(12), 5274-5284. https://doi.org/10.1039/c8nr10383f
- Olsson, E., Cottom, J., Aparicio-Anglès, X., & De Leeuw, N. H. (2019). Computational study of the mixed B-site perovskite SmB: XCo1- xO3- d (B = Mn, Fe, Ni, Cu) for next generation solid oxide fuel cell cathodes. Physical Chemistry Chemical Physics, 21(18), 9407-9418. https://doi.org/10.1039/c9cp00995g
2017
- Olsson, E., Aparicio-Anglès, X., & De Leeuw, N. H. (2017). A computational study of the electronic properties, ionic conduction, and thermal expansion of Sm1-xAxCoO3 and Sm1-xAxCoO3-x/2 (A = Ba2+, Ca2+, Sr2+, and x = 0.25, 0.5) as intermediate temperature SOFC cathodes. Physical Chemistry Chemical Physics, 19(21), 13960-13969. https://doi.org/10.1039/c7cp01555k
2016
- Olsson, E., Aparicio-Anglès, X., & De Leeuw, N. H. (2016). A DFT+U study of the structural, electronic, magnetic, and mechanical properties of cubic and orthorhombic SmCoO3. Journal of Chemical Physics, 145(22), Article 224704. https://doi.org/10.1063/1.4971186
- Olsson, E., Aparicio-Anglès, X., & De Leeuw, N. H. (2016). Ab initio study of vacancy formation in cubic LaMnO3 and SmCoO3 as cathode materials in solid oxide fuel cells. Journal of Chemical Physics, 145(1), Article 014703. https://doi.org/10.1063/1.4954939
2021
- Au, H., Alptekin, H., Jensen, A. C. S., Olsson, E., O'Keefe, C. A., Smith, T., Crespo-Ribadeneyra, M., Headen, T. F., Grey, C. P., Cai, Q., Drew, A. J., & Titirici, M. M. (2021). Erratum: A revised mechanistic model for sodium insertion in hard carbons (Energy and Environmental Science (2020) 13 (3469-3479) DOI: 10.1039/D0EE01363C). Energy and Environmental Science, 14(5), 3216. https://doi.org/10.1039/d1ee90018h
Prize / grant
- Pullen, S., Baumgartner, B. & Olsson, E. (2024). MMD hub grant: Optimizing Porous Thin Films for Enhanced Charge Transfer in Solar Energy Conversion Applications. https://hims.uva.nl/content/news/2024/07/four-projects-funded-as-part-of-the-molecular-material-design-technology-hub.html?origin=4zNaIwCsT1…
2024
- Cottom, J., Stefan, v., Jörg, M., Bliem, R. & Olsson, E. (16-11-2024). Coverage-Dependent Stability of RuxSiy on Ru(0001): A Comparative DFT and XPS Study. Zenodo. https://doi.org/10.5281/zenodo.12604806
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Ancillary activities
No ancillary activities
Cottom, J., Hückmann, L., Olsson, E., & Meyer, J. (2024). From Jekyll to Hyde and Beyond: Hydrogen's Multifaceted Role in Passivation, H-Induced Breakdown, and Charging of Amorphous Silicon Nitride. The Journal of Physical Chemistry Letters, 15(3), 840-848.