Variational Modeling of Carbon Nanostructures

2015–2020

Within this project, we make a multidisciplinary effort towards a comprehensive understanding of carbon nanostructures, both in their ideal crystalline form and in the presence of defects. To achieve this, we combine variational modelling with state-of-the-art electron microscopy and computational physics. The project is a collaboration between the Faculty of Physics and Faculty of Mathematics at the University of Vienna.

Funder: Wiener Wissenschafts-, Forschungs- und Technologiefonds (WWTF)

Project identifier: MA14-009

Principal investigators: U. Stefanelli (Faculty of Mathematics) & J. Kotakoski (Faculty of Physics)

Project website: Hosted at the Faculty of Mathematics

Project publications

Showing entries 1 - 20 out of 41

2019

Mustonen, K., Markevich, A., Tripathi, M., Inani, H., Ding, E. X., Hussain, A., Mangler, C., Kauppinen, E. I., Kotakoski, J., & Susi, T. (2019). Electron-Beam Manipulation of Silicon Impurities in Single-Walled Carbon Nanotubes. Advanced Functional Materials, 29(52), Article 1901327. https://doi.org/10.1002/adfm.201901327
Liao, Y., Mustonen, K., Tulić, S., Skákalová, V., Khan, S. A., Laiho, P., Zhang, Q., Li, C., Monazam, M. R. A., Kotakoski, J., Lipsanen, H., & Kauppinen, E. I. (2019). Enhanced Tunneling in a Hybrid of Single-Walled Carbon Nanotubes and Graphene. ACS Nano, 13(10), 11522-11529. https://doi.org/10.1021/acsnano.9b05049
Monazam, M. R. A., Ludacka, U., Komsa, H.-P., & Kotakoski, J. (2019). Substitutional Si impurities in monolayer hexagonal boron nitride. Applied Physics Letters, 115(7), Article 071604. https://doi.org/10.1063/1.5112375
Leuthner, G. T., Hummel, S., Mangler, C., Pennycook, T. J., Susi, T., Meyer, J. C., & Kotakoski, J. (2019). Scanning transmission electron microscopy under controlled low-pressure atmospheres. Ultramicroscopy, 203, 76-81. https://doi.org/10.1016/j.ultramic.2019.02.002
Susi, T., Meyer, J. C., & Kotakoski, J. (2019). Quantifying transmission electron microscopy irradiation effects using two-dimensional materials. Nature Reviews Physics, 1(6), 397-405. https://doi.org/10.1038/s42254-019-0058-y
Inani, H., Mustonen, K., Markevich, A., Ding, E.-X., Tripathi, M., Hussain, A., Mangler, C., Kauppinen, E. I., Susi, T., & Kotakoski, J. (2019). Silicon Substitution in Nanotubes and Graphene via Intermittent Vacancies. Journal of Physical Chemistry C, 123(20), 13136-13140. https://doi.org/10.1021/acs.jpcc.9b01894
Su, C., Tripathi, M., Yan, Q. B., Wang, Z., Zhang, Z., Hofer, C., Wang, H., Basile, L., Su, G., Dong, M., Meyer, J. C., Kotakoski, J., Kong, J., Idrobo, J. C., Susi, T., & Li, J. (2019). Engineering single-atom dynamics with electron irradiation. Science Advances, 5(5), Article 2252. https://doi.org/10.1126/sciadv.aav2252
Kozubek, R., Tripathi, M., Ghorbani-Asl, M., Kretschmer, S., Madauß, L., Pollmann, E., O'Brien, M., McEvoy, N., Ludacka, U., Susi, T., Duesberg, G. S., Wilhelm, R. A., Krasheninnikov, A. V., Kotakoski, J., & Schleberger, M. (2019). Perforating Freestanding Molybdenum Disulfide Monolayers with Highly Charged Ions. Journal of Physical Chemistry Letters, 10(5), 904-910. https://doi.org/10.1021/acs.jpclett.8b03666
Susi, T., Madsen, J., Ludacka, U., Mortensen, J. J., Pennycook, T. J., Lee, Z., Kotakoski, J., Kaiser, U., & Meyer, J. C. (2019). Efficient first principles simulation of electron scattering factors for transmission electron microscopy. Ultramicroscopy, 197, 16-22. https://doi.org/10.1016/j.ultramic.2018.11.002

2018

Ludacka, U., Monazam, M. R. A., Rentenberger, C., Friedrich, M., Stefanelli, U., Meyer, J. C., & Kotakoski, J. (2018). In situ control of graphene ripples and strain in the electron microscope. npj 2D Materials and Applications, 2(1), Article 25. https://doi.org/10.1038/s41699-018-0069-z
Schleberger, M., & Kotakoski, J. (2018). 2D Material Science: Defect Engineering by Particle Irradiation. Materials - Open Access Journal, 11(10), Article 1885. https://doi.org/10.3390/ma11101885
Mustonen, K., Hussain, A., Hofer, C., Reza Ahmadpour Monazam, M., Mirzayev, R., Elibol, K., Laiho, P., Mangler, C., Jiang, H., Susi, T., Kauppinen, E. I., Kotakoski, J., & Meyer, J. C. (2018). Atomic-Scale Deformations at the Interface of a Mixed-Dimensional van der Waals Heterostructure. ACS Nano, 12(8), 8512–8519. https://doi.org/10.1021/acsnano.8b04050
Tripathi, M., Mittelberger, A., Pike, N., Mangler, C., Meyer, J. C., Verstraete, M., Kotakoski, J., & Susi, T. (2018). Electron-Beam Manipulation of Silicon Dopants in Graphene. Nano Letters, 18(8), 5319–5323. https://doi.org/10.1021/acs.nanolett.8b02406
Susi, T., Scardamaglia, M., Mustonen, K., Tripathi, M., Mittelberger, A., Al-Hada, M., Amati, M., Sezen, H., Zeller, P., Larsen, A. H., Mangler, C., Meyer, J. C., Gregoratti, L., Bittencourt, C., & Kotakoski, J. (2018). Intrinsic core level photoemission of suspended monolayer graphene. Physical Review Materials, 2(7), Article 074005. https://doi.org/10.1103/PhysRevMaterials.2.074005
Tripathi, M., Markevich, A., Böttger, R., Facsko, S., Besley, E., Kotakoski, J., & Susi, T. (2018). Implanting Germanium into Graphene. ACS Nano, 12(5), 4641-4647. https://doi.org/10.1021/acsnano.8b01191
Elibol, K., Susi, T., Argentero, G., Monazam, M. R. A., Pennycook, T. J., Meyer, J. C., & Kotakoski, J. (2018). Atomic Structure of Intrinsic and Electron-Irradiation-Induced Defects in MoTe2. Chemistry of Materials, 30(4), 1230-1238. https://doi.org/10.1021/acs.chemmater.7b03760
Skákalová, V., Kotrusz, P., Jergel, M., Susi, T., Mittelberger, A., Vretenár, V., Šiffalovič, P., Kotakoski, J., Meyer, J. C., & Hulman, M. (2018). Chemical Oxidation of Graphite: Evolution of the Structure and Properties. Journal of Physical Chemistry C, 122(1), 929-935. https://doi.org/10.1021/acs.jpcc.7b10912

2017

Susi, T., Skákalová, V., Mittelberger, A., Kotrusz, P., Hulman, M., Pennycook, T. J., Mangler, C., Kotakoski, J., & Meyer, J. C. (2017). Computational insights and the observation of SiC nanograin assembly: towards 2D silicon carbide. Scientific Reports, 7(1), Article 4399. https://doi.org/10.1038/s41598-017-04683-9
Nosraty Alamdary, D., Kotakoski, J., & Susi, T. (2017). Structure and Energetics of Embedded Si Patterns in Graphene. Physica Status Solidi (B) Basic Research, 254(11), Article 1700188. https://doi.org/10.1002/pssb.201700188
Susi, T., Kepaptsoglou, D., Lin, Y.-C., Ramasse, Q. M., Meyer, J. C., Suenaga, K., & Kotakoski, J. (2017). Towards atomically precise manipulation of 2D nanostructures in the electron microscope. 2D Materials, 4(4), Article 042004. https://doi.org/10.1088/2053-1583/aa878f
Showing entries 1 - 20 out of 41