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AiiDAlab – an ecosystem for developing, executing, and sharing scientific workflows
Yakutovich, A. V., Eimre, K., Schütt, O., Talirz, L., Adorf, C. S., Andersen, C. W., … Pignedoli, C. A. (2021). AiiDAlab – an ecosystem for developing, executing, and sharing scientific workflows. Computational Materials Science, 188, 110165 (9 pp.). https://doi.org/10.1016/j.commatsci.2020.110165
On-surface synthesis of a nonplanar porous nanographene
Xu, K., Urgel, J. I., Eimre, K., Di Giovannantonio, M., Keerthi, A., Komber, H., … Feng, X. (2019). On-surface synthesis of a nonplanar porous nanographene. Journal of the American Chemical Society, 141, 7726-7730. https://doi.org/10.1021/jacs.9b03554
Bottom-up synthesis of heteroatom-doped chiral graphene nanoribbons
Wang, X. Y., Urgel, J. I., Borin Barin, G., Eimre, K., Di Giovannantonio, M., Milani, A., … Narita, A. (2018). Bottom-up synthesis of heteroatom-doped chiral graphene nanoribbons. Journal of the American Chemical Society, 140(29), 9104-9107. https://doi.org/10.1021/jacs.8b06210
On‐surface synthesis of cumulene‐like polymers via two‐step dehalogenative homocoupling of dibromomethylenes-functionalized tribenzoazulene
Urgel, J. I., Di Giovannantonio, M., Eimre, K., Lohr, T. G., Liu, J., Mishra, S., … Fasel, R. (2020). On‐surface synthesis of cumulene‐like polymers via two‐step dehalogenative homocoupling of dibromomethylenes-functionalized tribenzoazulene. Angewandte Chemie International Edition, 59(32), 13281-13287. https://doi.org/10.1002/anie.202001939
On-surface synthesis and characterization of super-nonazethrene
Turco, E., Mishra, S., Melidonie, J., Eimre, K., Obermann, S., Pignedoli, C. A., … Ruffieux, P. (2021). On-surface synthesis and characterization of super-nonazethrene. Journal of Physical Chemistry Letters, 12(34), 8314-8319. https://doi.org/10.1021/acs.jpclett.1c02381
Reaction pathway towards 7-atom-wide armchair graphene nanoribbon formation and identification of intermediate species on Au(111)
Thussing, S., Flade, S., Eimre, K., Pignedoli, C. A., Fasel, R., & Jakob, P. (2020). Reaction pathway towards 7-atom-wide armchair graphene nanoribbon formation and identification of intermediate species on Au(111). Journal of Physical Chemistry C, 124(29), 16009-16018. https://doi.org/10.1021/acs.jpcc.0c04596
On-surface synthesis of polyazulene with 2,6-connectivity
Sun, Q., Hou, I. C. Y., Eimre, K., Pignedoli, C. A., Ruffieux, P., Narita, A., & Fasel, R. (2019). On-surface synthesis of polyazulene with 2,6-connectivity. Chemical Communications, 55(89), 13466-13469. https://doi.org/10.1039/C9CC07168G
Coupled spin states in armchair graphene nanoribbons with asymmetric zigzag edge extensions
Sun, Q., Yao, X., Gröning, O., Eimre, K., Pignedoli, C. A., Müllen, K., … Ruffieux, P. (2020). Coupled spin states in armchair graphene nanoribbons with asymmetric zigzag edge extensions. Nano Letters, 20(9), 6429-6436. https://doi.org/10.1021/acs.nanolett.0c02077
Evolution of the topological energy band in graphene nanoribbons
Sun, Q., Yan, Y., Yao, X., Müllen, K., Narita, A., Fasel, R., & Ruffieux, P. (2021). Evolution of the topological energy band in graphene nanoribbons. Journal of Physical Chemistry Letters, 12(35), 8679-8684. https://doi.org/10.1021/acs.jpclett.1c02541
On-surface synthesis of super-heptazethrene
Mishra, S., Melidonie, J., Eimre, K., Obermann, S., Gröning, O., Pignedoli, C. A., … Fasel, R. (2020). On-surface synthesis of super-heptazethrene. Chemical Communications, 56(54), 7467-7470. https://doi.org/10.1039/D0CC02513E
Topological frustration induces unconventional magnetism in a nanographene
Mishra, S., Beyer, D., Eimre, K., Kezilebieke, S., Berger, R., Gröning, O., … Fasel, R. (2020). Topological frustration induces unconventional magnetism in a nanographene. Nature Nanotechnology, 15, 22-28. https://doi.org/10.1038/s41565-019-0577-9
Synthesis and characterization of [7]triangulene
Mishra, S., Xu, K., Eimre, K., Komber, H., Ma, J., Pignedoli, C. A., … Ruffieux, P. (2021). Synthesis and characterization of [7]triangulene. Nanoscale, 13(3), 1624-1628. https://doi.org/10.1039/D0NR08181G
Collective all‐carbon magnetism in triangulene dimers
Mishra, S., Beyer, D., Eimre, K., Ortiz, R., Fernández-Rossier, J., Berger, R., … Ruffieux, P. (2020). Collective all‐carbon magnetism in triangulene dimers. Angewandte Chemie International Edition, 59(29), 12041-12047. https://doi.org/10.1002/anie.202002687
Synthesis and characterization of π-extended triangulene
Mishra, S., Beyer, D., Eimre, K., Liu, J., Berger, R., Gröning, O., … Ruffieux, P. (2019). Synthesis and characterization of π-extended triangulene. Journal of the American Chemical Society, 141(27), 10621-10625. https://doi.org/10.1021/jacs.9b05319
Large magnetic exchange coupling in rhombus-shaped nanographenes with zigzag periphery
Mishra, S., Yao, X., Chen, Q., Eimre, K., Gröning, O., Ortiz, R., … Fasel, R. (2021). Large magnetic exchange coupling in rhombus-shaped nanographenes with zigzag periphery. Nature Chemistry, 13, 581-586. https://doi.org/10.1038/s41557-021-00678-2
On-surface synthesis of singly and doubly porphyrin-capped graphene nanoribbon segments
Mateo, L. M., Sun, Q., Eimre, K., Pignedoli, C. A., Torres, T., Fasel, R., & Bottari, G. (2021). On-surface synthesis of singly and doubly porphyrin-capped graphene nanoribbon segments. Chemical Science, 12(1), 247 (6 pp.). https://doi.org/10.1039/D0SC04316H
On-surface synthesis of non-benzenoid nanographenes by oxidative ring-closure and ring-rearrangement reactions
Lohr, T. G., Urgel, J. I., Eimre, K., Liu, J., Di Giovannantonio, M., Mishra, S., … Feng, X. (2020). On-surface synthesis of non-benzenoid nanographenes by oxidative ring-closure and ring-rearrangement reactions. Journal of the American Chemical Society, 142(31), 13565-13572. https://doi.org/10.1021/jacs.0c05668
Common workflows for computing material properties using different quantum engines
Huber, S. P., Bosoni, E., Bercx, M., Bröder, J., Degomme, A., Dikan, V., … Pizzi, G. (2021). Common workflows for computing material properties using different quantum engines. npj Computational Materials, 7, 136 (12 pp.). https://doi.org/10.1038/s41524-021-00594-6
On-surface synthesis of unsaturated carbon nanostructures with regularly fused pentagon-heptagon pairs
Hou, I. C. Y., Sun, Q., Eimre, K., Di Giovannantonio, M., Urgel, J. I., Ruffieux, P., … Müllen, K. (2020). On-surface synthesis of unsaturated carbon nanostructures with regularly fused pentagon-heptagon pairs. Journal of the American Chemical Society, 142(23), 10291-10296. https://doi.org/10.1021/jacs.0c03635
On-surface synthesis of antiaromatic and open-shell indeno[2,1-<em>b</em>]fluorene polymers and their lateral fusion into porous ribbons
Di Giovannantonio, M., Eimre, K., Yakutovich, A. V., Chen, Q., Mishra, S., Urgel, J. I., … Fasel, R. (2019). On-surface synthesis of antiaromatic and open-shell indeno[2,1-b]fluorene polymers and their lateral fusion into porous ribbons. Journal of the American Chemical Society, 141(31), 12346-12354. https://doi.org/10.1021/jacs.9b05335