Publications 2021


Large magnetic exchange coupling in rhombus-shaped nanographenes with zigzag periphery

S. Mishra, X. Yao, Q. Chen, K. Eimre, O. Gröning, R. Ortiz, M. Di Giovannantonio, J. C. Sancho-García, J. Fernández-Rossier, C. A. Pignedoli, K. Müllen, P. Ruffieux, A Narita and R. Fasel

Nat. Chem. in press (2021). DOI: 10.1038/s41557-021-00678-2


Bottom‐up Fabrication and Atomic‐scale Characterization of Triply‐linked, Laterally π‐Extended Porphyrin Nanotapes

Q. Sun, L. M. Mateo, R. Robles, N. Lorente, P. Ruffieux, G. Bottari, T. Torres, R. Fasel

Angew. Chem. Int. Ed. just accepted manuscript (2021). DOI: 10.1002/anie.202105350


Anharmonic effects on the dynamics of solid aluminium from ab initio simulations

D.J. Adams, L. Wang, G. Steinle-Neumann, D. Passerone, S. V. Churakov

J. Phys.: Condens. Matter 33, 175501 (2021). DOI: 10.1088/1361-648X/abc972


Quantum electronic transport across 'bite' defects in graphene nanoribbons

M. Pizzochero, K. Cernevics, G. Borin Barin, S. Wang, P. Ruffieux, R. Fasel and O.V. Yazyev

2D Mater. 8, 035025 (2021). DOI: 10.1088/2053-1583/abf716


Exploring Intramolecular Methyl–Methyl Coupling on a Metal Surface for Edge-Extended Graphene Nanoribbons

Z. Qiu, Q. Sun, S. Wang, G. Borin Barin, B. Dumslaff, P. Ruffieux, K. Müllen, A. Narita, R. Fasel

Organic Materials 03, 128-133 (2021). DOI: 10.1055/s-0041-1726295


The role of methyl groups in the early stage of thermal polymerization of polycyclic aromatic hydrocarbons revealed by molecular imaging

P. Chen, S. Fatayer, B. Schuler, J.N. Metz, L. Gross, N. Yao, Y. Zhang

Energy and Fuels, 35 (3), 2224-2233 (2021). DOI: 10.1021/acs.energyfuels.0c04016


On-Surface Synthesis of Dibenzohexacenohexacene and Dibenzopentaphenoheptaphene

X. Xu, A. Kinikar, M. Di Giovannantonio, P. Ruffieux, K. Müllen, R. Fasel, A. Narita

Bull. Chem. Soc. Jpn. 94 (3), 997-999 (2021). DOI: 10.1246/bcsj.20200382


Simulating the ghost: quantum dynamics of the solvated electron

Lan, J., Kapil, V., Gasparotto, P., Ceriotti, M., Iannuzzi, M., & Rybkin, V. V.

Nat. Commun. 12, 766 (2021). DOI: 10.1038/s41467-021-20914-0


Mapping the Structure of Oxygen-Doped Wurtzite Aluminum Nitride Coatings from Ab Initio Random Structure Search and Experiments

P. Gasparotto, M. Fischer, D. Scopece, M. O. Liedke, M. Butterling, A. Wagner, O. Yildirim, M. Trant, D. Passerone, H. J. Hug, and C. A. Pignedoli

ACS Appl. Mater. Interfaces 13 (4), 5762–5771 (2021). DOI: 10.1021/acsami.0c19270


Asymmetric azide‐alkyne Huisgen cycloaddition on chiral metal surfaces

S. Stolz, M. Bauer, C. A. Pignedoli, N. Krane, M. Bommert, E. Turco, N. Bassi, A. Kinikar, N. Merino-Dìez, R. Hany, H. Brune, O. Gröning, and R. Widmer

Commun. Chem. 4, 51 (2021). DOI: 10.1038/s42004-021-00488-0


Fitting a motor in a 1nm3 cube

S. Stolz , J. Prinz, H. Brune, R. Widmer, O. Gröning

SPS Communications 63, Progress in Physics 78


Synthesis and characterization of [7]triangulene

S. Mishra, K. Xu, K. Eimre, H. Komber, J. Ma, C. A. Pignedoli, R. Fasel, X. Feng and P. Ruffieux

Nanoscale 13, 1624-1628 (2021). DOI: 10.1039/D0NR08181G


On-surface synthesis of singly and doubly porphyrin-capped graphene nanoribbon segments

L. M. Mateo, Q. Sun, K. Eimre, C. A. Pignedoli, T. Torres, R. Fasel, G. Bottari

Chem. Sci. 12, 247-252 (2021). DOI: 10.1039/D0SC04316H


AiiDAlab – an ecosystem for developing, executing, and sharing scientific workflows

A. V. Yakutovich, K. Eimre, O. Schütt, L. Talirz, C. S. Adorf, C.W. Andersen, E. Ditler, D. Du, D. Passerone, B. Smit, N. Marzari, G. Pizzi, C. A. Pignedoli

Comput. Mater. Sci 188 (2021). DOI: 10.1016/j.commatsci.2020.110165


Graphene nanoribbons with mixed cove-cape-zigzag edge structure

P. P. Shinde, J. Liu, T. Dienel, O. Gröning, T. Dumslaff, M. Mühlinghaus, A. Narita, K. Müllen, C. A. Pignedoli, R. Fasel, P. Ruffieux, D. Passerone

Carbon 175, 50-59 (2021). DOI: 10.1016/j.carbon.2020.12.069