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

Scalable Substitutional Re‐Doping and its Impact on the Optical and Electronic Properties of Tungsten Diselenide

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

Electronic structure of pristine and Ni-substituted LaFeO3 from near edge x-ray absorption fine structure experiments and first-principles simulations

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

On-Surface Synthesis of Non-Benzenoid Nanographenes by Oxidative Ring-Closure and Ring-Rearrangement Reactions

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

Handedness-dependent quasiparticle interference in the two enantiomers of the topological chiral semimetal PdGa

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

Reaction Pathway towards 7-Atom-Wide Armchair Graphene Nanoribbon Formation and Identification of Intermediate Species on Au(111)

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

Investigating molecular orbitals with submolecular precision on pristine sites and single atomic vacancies of monolayer h-BN

L. Liu, T. Dienel, G. Günzburger, T. Zhang, Z. Huang, C. Wang, R. Widmer, W. Ji, Y. Wang, O. Gröning

Nano Res. 132233 - 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

On-Surface Synthesis of Unsaturated Carbon Nanostructures with Regularly Fused Pentagon-Heptagon Pairs

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

On‐Surface Synthesis of Cumulene‐Containing Polymers via Two‐Step Dehalogenative Homocoupling of Dibromomethylene-Functionalized Tribenzoazulene

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

Controlled Quantum Dot Formation in Atomically Engineered Graphene Nanoribbon Field-Effect Transistors

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

Massive Dirac Fermion Behavior in a Low Bandgap Graphene Nanoribbon Near a Topological Phase Boundary

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