Publications 2020

Weyl fermions, Fermi arcs, and minority-spin carriers in ferromagnetic CoS2
N.B.M. Schröter, I. Robredo, S. Klemenz, R. J. Kirby, J. A. Krieger, D. Pei, T. Yu, S. Stolz, T. Schmitt, P. Dudin, T. K. Kim, C. Cacho, A. Schnyder, A. Bergara, V. N. Strocov, F. de Juan, M. G. Vergniory, L. M. Schoop
Sci. Ad. 6, 51 (2020). DOI: 10.1126/sciadv.abd5000

A. Kozhakhmetov, B. Schuler, A. M. Z. Tan, K. A. Cochrane, J. R. Nasr, H. El-Sherif, A. Bansal, A. Vera, V. Bojan, J. M. Redwing, N. Bassim, S. Das, R. G. Hennig, A. Weber-Bargioni, J. A. Robinson
Adv. Mater. 32, 2002159 (2020). DOI: 10.1002/adma.202005159

Smart local orbitals for efficient calculations within density functional theory and beyond
G. Gandus, A. Valli, D. Passerone, R. Stadler
J. Chem. Phys. 153 (19), 194103 (2020). DOI: 10.1063/5.0021821

I. Timrov, P. Agrawal, X. Zhang, S. Erat, R. Liu, A. Braun, M. Cococcioni, M. Calandra, N. Marzari, D. Passerone
Phys. Rev. Res. 2(3), 033265 (2020). DOI: 10.1103/PhysRevResearch.2.033265

Atomic-resolution differential phase contrast STEM on ferroelectric materials: a mean-field approach
M. Campanini, K. Eimre, M. Bon, C. A. Pignedoli, M. D. Rossell, R. Erni
Phys. Rev. B 101(18), 184116 (2020). DOI: 10.1103/PhysRevB.101.184116

Atomic structure and electronic properties of planar defects in SrFeO3-δ thin films
M.D. Rossell, P. Agrawal, M. Campanini, D. Passerone, R. Erni
Phys. Rev. Mater. 4, 075001 (2020). DOI: 10.1103/PhysRevMaterials.4.075001

On‐surface Synthesis of a Chiral Graphene Nanoribbon with Mixed Edge Structure
A. Keerthi, C. Sánchez-Sánchez, O. Deniz, P. Ruffieux, D. Schollmeyer, X. Feng, A. Narita, R. Fasel, K. Müllen
Chem. Asian J. 15, 3807–3811 (2020). DOI:10.1002/asia.202001008

Inducing Open-shell Character in Porphyrins through Surface-assisted Phenalenyl π-Extension
Q. Sun, L. Mateo, R. Robles, P. Ruffieux, N. Lorente, G. Bottari, T. Torres, R. Fasel
J. Am. Chem. Soc. 142, 18109 - 18117 (2020). DOI: 10.1021/jacs.0c07781

Materials Cloud, a platform for open computational science
L. Talirz, S. Kumbhar, E. Passaro, A. V. Yakutovich, V. Granata, F. Gargiulo, M. Borelli, M. Uhrin, S. P. Huber, S. Zoupanos, C. S. Adorf, C. Welzel Andersen, O. Schütt, C. A. Pignedoli, D. Passerone, J. VandeVondele, T. C. Schulthess, B. Smit, G. Pizzi, N. Marzari
Sci. Data 7, 299 (2020). DOI: 10.1038/s41597-020-00637-5

T. G. Lohr, J.I. Urgel, K. Eimre, J. Liu, M. Di Giovannantonio, S. Mishra, R. Berger, P. Ruffieux, C. A. Pignedoli, R. Fasel, X. Feng
J. Am. Chem. Soc. 142, 31, 13565 – 13572 (2020). DOI: 10.1021/jacs.0c05668

Coupled Spin States in Armchair Graphene Nanoribbons with Asymmetric Zigzag Edge Extensions
Q. Sun, X. Yao, O. Gröning, K. Eimre, P.A. Pignedoli, K. Müllen, A. Narita, R. Fasel, P. Ruffieux
Nano Lett. 9, 6429 – 6436 (2020). DOI: 10.1021/acs.nanolett.0c02077

On-Surface Synthesis of Oligo(indenoindene)
M. Di Giovannantonio, Q. Chen, J. I. Urgel, P. Ruffieux, C. A. Pignedoli, K. Müllen, A. Narita, R. Fasel
J. Am. Chem. Soc. 142, 30, 12925 – 12929 (2020). DOI: 10.1021/jacs.0c05701

Large-cavity coronoids with different inner and outer edge structures
M. Di Giovannantonio, X. Yao, K. Eimre, J. I. Urgel, P. Ruffieux, C. A. Pignedoli, K. Müllen, R. Fasel, and A. Narita
J. Am. Chem. Soc. 142, 28, 12046 – 12050 (2020). DOI: 10.1021/jacs.0c05268

P. Sessi, F.-R. Fan, F. Küster, K. Manna, N. B. M. Schröter, J.-R. Ji, S. Stolz, J. A. Krieger, D. Pei, T. K. Kim, P. Dudin, C. Cacho, R. Widmer, H. Borrmann, W. Shi, K. Chang, Y. Sun, C. Felser & S. S. P. Parkin
Nat. Commun. 11,3507 (2020). DOI: 10.1038/s41467-020-17261-x

Observation and control of maximal Chern numbers in a chiral topological semimetal
N. B. M. Schröter, S. Stolz, K. Mnna, F. de Juan, M. G. Vergniory, J. A. Krieger, D. Pei, T. Schmitt, P. Dudin, T. K. Kim, C. Cacho, B. Bradlyn, H. Borrmann, M. Schmidt, R. Widmer, V. N. Strocov, C. Felser
Science 36 (6500), 179 - 183 (2020). DOI: 10.1126/science.aaz3480

S. Thussing, S. Flade, K. Eimre, C. A. Pignedoli, R. Fasel, and P. Jakob
J. Phys. Chem. C 124, 29, 16009 - 16018 (2020). DOI: 10.1021/acs.jpcc.0c04596

Near‐enantiopure trimerization of 9‐Ethynylphenanthrene on a chiral metal surface
S. Stolz, A. V. Yakutovich, J. Prinz, T. Dienel, C. A. Pignedoli, H. Brune, O. Gröning, R. Widmer
Angew. Chem. Int. Ed. 59, 18179 - 18183 (2020). DOI: 10.1002/anie.202006844

Diradical organic one‐dimensional polymers synthesized on a metallic surface
A.Sánchez-Grande, J. I. Urgel, A. Cahlík, J. Santos, S. Edalatmanesh, E. Rodríguez-Sánchez, K. Lauwaet, P. Mutombo, D. Nachtigallová, R. Nieman, H. Lischka, B. de la Torre, R. Miranda, O. Gröning, N. Martín, P. Jelínek, and D. Écija
Angew. Chem. Int. Ed. 59, 17594 - 17599 (2020). DOI: 10.1002/anie.202006276

L. Liu, T. Dienel, G. Günzburger, T. Zhang, Z. Huang, C. Wang, R. Widmer, W. Ji, Y. Wang, O. Gröning
Nano Res. 13, 2233 - 2238 (2020). DOI: 10.1007/s12274-020-2842-5

Molecular motor crossing the frontier of classical to quantum tunneling motion
S. Stolz, O. Gröning, J. Prinz, H. Brune, and R. Widmer
PNAS 117 (26), 14838 - 14842 (2020). DOI: 10.1073/pnas.1918654117

Atomistic Positioning of Defects in Helium Ion Treated Single-Layer MoS2
E. Mitterreiter, B. Schuler, K. A. Cochrane, U. Wurstbauer, A. Weber-Bargioni, C. Kastl, and A. W. Holleitner
Nano Lett. 20, 4437 - 4444 (2020). DOI: 10.1021/acs.nanolett.0c01222

Resolving Quinoid Structure in Poly(para-phenylene) Chains
B. Yuan, C. Li, Y. Zhao, O. Gröning, X. Zhou, P. Zhang, D. Guan, Y. Li, H. Zheng, C. Liu, Y. Mai, P. Liu, W. Ji, J. Jia, and S. Wang
J. Am. Chem. Soc. 142, 22, 10034 - 10041 (2020). DOI: 10.1021/jacs.0c01930

On-surface synthesis of super-heptazethrene
S. Mishra, J. Melidonie, K. Eimre, S. Obermann, O. Gröning, C.A. Pignedoli, P. Ruffieux, X. Feng, R. Fasel
Chem. Commun. 56, 7467 - 7470 (2020). DOI: 10.1039/D0CC02513E

I. Cheng-Yi Hou, Q. Sun, K. Eimre, M. Di Giovannantonio, J. I. Urgel, P. Ruffieux, A. Narita, R. Fasel, K. Müllen
J. Am. Chem. Soc. 142, 10291 - 10296 (2020), DOI: 10.1021/jacs.0c03635

J. I. Urgel, M. Di Giovannantonio, K. Eimre, T. G. Lohr, J. Liu, S. Mishra, Q. Sun, A. Kinikar, R. Widmer, S. Stolz, M. Bommert, R. Berger, P. Ruffieux, C. A. Pignedoli, K. Müllen, X. Feng, R. Fasel
Angew. Chem. Int. Ed. 59, 13281 - 13287 (2020). DOI: 10.1002/anie.202001939

Reversible dehalogenation in on-surface aryl-aryl coupling
S. Stolz, M. Di Giovannantonio, J.I. Urgel, Q. Sun, A. Kinikar, G. Borin Barin, M. Bommert, R. Fasel, R. Widmer
Angew. Chem. Int. Ed. 59, 14106 - 14110 (2020). DOI: 10.1002/anie.202005443

Tailoring topological order and π-conjugation to engineer quasi-metallic polymers
B. Cirera, A. Sánchez-Grande, B. de la Torre, J. Santos, S. Edalatmanesh, E. Rodríguez-Sánchez, K. Lauwaet, B. Mallada, R. Zbořil, R. Miranda, O. Gröning, P. Jelínek, N. Martín, D. Ecija
Nat. Nanotechnol. 15, 437 - 443 (2020). DOI:10.1038/s41565-020-0668-7

Collective All‐Carbon Magnetism in Triangulene Dimers
S. Mishra, D. Beyer, K. Eimre, R. Ortiz, J. Fernández-Rossier, R. Berger, O. Gröning, C. Pignedoli, R. Fasel, X. Feng, P. Ruffieux
Angew. Chem. Int. Ed. 59, 12041 - 12047 (2020). DOI: 10.1002/anie.202002687

M. El Abbassi, M. L. Perrin, G. Borin Barin, S. Sangtarash, J. Overbeck, O. Braun, C. J. Labert, Q. Sun, T. Prechtl, A. Narita, K. Müllen, P. Ruffieux, H. Sadeghi, R. Fasel, M. Calame
ACS Nano 14, 5754 - 5762 (2020). DOI: 10.1021/acsnano.0c00604

Q. Sun, O. Gröning, J. Overbeck, O. Braun, M. L. Perrin, G. Borin Barin, M. El Abbassi, K. Eimre, E. Ditler, C. Daniels, V. Meunier. C. A. Pignedoli, M. Calame, R. Fasel, P. Ruffieux
Adv. Mater. 32, 1906054 (2020). DOI: 10.1002/adma.201906054

Production and processing of graphene and related materials
C. Backes et. al.
2D Mater. 7, 022001 (2020). DOI: 10.1088/2053-1583/ab1e0a

On-surface Dehydro-Diels-Alder reaction of Dibromo-bis(phenylethynyl)benzene
M. Di Giovannantonio, A. Keerthi, J. I. Urgel, M. Baumgarten, X. Feng, P. Ruffieux, A. Narita, R. Fasel, K. Müllen
J. Am. Chem. Soc. 142, 1721 - 1725 (2020). DOI: 10.1021/jacs.9b11755

Optical imaging and spectroscopy of atomically precise armchair graphene nanoribbons
S. Zhao , G. Borin Barin, T. Cao, J. Overbeck, R. Darawish, T. Lyu, S. Drapcho, S. Wang, T. Dumslaff, A. Narita, M.Calame, K. Müllen, S. Louie, P. Ruffieux, R. Fasel, F. Wang
Nano Lett. 20, 1124 - 1130 (2020). DOI: 10.1021/acs.nanolett.9b04497

Topological defect-induced magnetism in a nanographene
S. Mishra, D. Beyer, R. Berger, J. Liu, O. Groening, J.I. Urgel, K. Müllen, P. Ruffieux, X. Feng, R. Fasel
J. Am. Chem. Soc. 142, 1147 - 1152 (2020). DOI: 10.1021/jacs.9b09212

On‐Surface Synthesis and Characterization of Triply Fused Porphyrin–Graphene Nanoribbon Hybrids
L. Mateo, Q. Sun, S.-X. Liu, J. J. Bergkamp, K. Eimre, C. A. Pignedoli, P. Ruffieux, S. Decurtins, G. Bottari, R. Fasel, T. Torres
Angew. Chem. Int. Ed. 59 (3), 1334 - 1339 (2020). DOI: 10.1002/anie.201913024

Topological frustration induces unconventional magnetism in a nanographene
S. Mishra, D. Beyer, K. Eimre, S. Kezilebieke, R. Berger, O. Gröning, C.A. Pignedoli, K. Müllen, P. Liljeroth, P. Ruffieux, X. Feng and R. Fasel
Nat. Nanotechnol. 15, 22 - 28 (2020). DOI: 10.1038/s41565-019-0577-9