Publications 2020

https://www.integratedtesting.org/documents/55905/11364995/Weyl+fermions%2C+Fermi+arcs%2C+and+minority-spin+carriers+in+ferromagnetic+CoS2.jpg/63fcc38d-b60c-4cdf-8c42-450b7e981f0d?t=1608533601000

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

https://www.integratedtesting.org/documents/55905/11364995/Scalable+Substitutional+Re%E2%80%90Doping+and+its+Impact+on+the+Optical+and+Electronic+Properties+of+Tungsten+Diselenide.jpg/95bdce78-1722-4373-be1c-c026c6346329?t=1607513991000

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

https://www.integratedtesting.org/documents/55905/11364995/Smart+local+orbitals+for+efficient+calculations+within+density+functional+theory+and+beyond.jpeg/ca43a9b7-bff4-463a-9269-019e43dbad1f?t=1605527098000

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

https://www.integratedtesting.org/documents/55905/11364995/Electronic+structure+of+pristine+and+Ni-substituted+LaFeO3+from+near+edge+x-ray+absorption+fine+structure+experiments+and+first-principles+simulations.jpg/d80c7ca2-4da6-4a26-8e60-dcb80bb5f107?t=1604999514000

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

https://www.integratedtesting.org/documents/55905/11364995/Atomic-resolution+differential+phase+contrast+STEM+on+ferroelectric+materials.jpg/3b613622-a63f-40d2-a5ec-a1eb63849036?t=1604996668000

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

https://www.integratedtesting.org/documents/55905/11364995/Atomic+structure+and+electronic+properties+of+planar+defects+in+SrFeO3%E2%88%92%CE%B4+thin+films.jpg/fa9b7d6c-f6ac-4e97-8242-8321f1e76b16?t=1604995219000

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

https://www.integratedtesting.org/documents/55905/11364995/On%E2%80%90surface+Synthesis+of+a+Chiral+Graphene+Nanoribbon+with+Mixed+Edge+Structure.jpg/c82ff843-4962-45c8-a195-6d97522eb226?t=1603108576000

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

https://www.integratedtesting.org/documents/55905/11364995/Inducing+Open-shell+Character.jpg/007e8b2a-7d04-4019-8deb-81cc247da8f2?t=1604644529000

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

https://www.integratedtesting.org/documents/55905/11364995/Materials+Cloud.jpg/6749b2e0-6347-4790-a500-1546b91de778?t=1600345468000

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

https://www.integratedtesting.org/documents/55905/11364995/On-Surface+Synthesis+of+Non-Benzenoid+Nanographenes+by+Oxidative+Ring-Closure+and+Ring-Rearrangement+Reactions.jpg/36f6c426-e92f-4a69-91f1-4ab2132155d4?t=1600070047000

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

https://www.integratedtesting.org/documents/55905/11364995/Coupled+Spin+States+in+Armchair+Graphene+Nanoribbons.png/229481a8-2e7c-46a0-a923-7821fc919e43?t=1597068812000

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

https://www.integratedtesting.org/documents/55905/11364995/On-Surface+Synthesis+of+Oligo%28indenoindene%29.jpg/288e4ac7-f591-463b-be2f-6a2e33bf2a7a?t=1595013041000

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

https://www.integratedtesting.org/documents/55905/11364995/Large+Cavity+Coronoids.gif/5d13ff5b-16ba-4158-aadb-358f01d93ce6?t=1595013134000

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

https://www.integratedtesting.org/documents/55905/11364995/Handedness-dependent+quasiparticle+interference+in+the+two+enantiomers+of+the+topological+chiral+semimetal+PdGa.jpg/9b68b823-d00e-4b46-965b-9bde93424a33?t=1594730632000

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

https://www.integratedtesting.org/documents/55905/11364995/Observation+and+control+of+maximal+Chern+numbers+in+a+chiral+topological+semimetal.jpg/6fe06177-f965-4eda-b205-e6744aff1af4?t=1594376038000

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

https://www.integratedtesting.org/documents/55905/11364995/Reaction+Pathway+towards+7-Atom-Wide+Armchair+Graphene+Nanoribbon+Formation+and+Identification+of+Intermediate+Species+on+Au%28111%29.jpg/38ce183e-2bb3-476e-8739-8fa19441aff7?t=1594124892000

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

https://www.integratedtesting.org/documents/55905/11364995/Near-enantiopure.jpg/5c8443d8-fd74-4094-b19a-1600a5c0b902?t=1593675364000

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

https://www.integratedtesting.org/documents/55905/11364995/Diradical.jpg/f7dab1cd-54c9-46e3-b91a-87581dd30fc7?t=1593675268000

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

https://www.integratedtesting.org/documents/55905/11364995/Investigating+molecular+orbitals+with+submolecular+precision+on+pristine+sites+and+single+atomic+vacancies+of+monolayer+h-BN.jpg/120999bf-4362-4753-beca-730755b2a5b5?t=1593001100000

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

https://www.integratedtesting.org/documents/55905/11364995/Molecular+motor+crossing+the+frontier+of+classical+to+quantum+tunneling+motion.jpg/9896bf9e-0bb7-4b92-ba11-aeae966bd97b?t=1592471500000

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

https://www.integratedtesting.org/documents/55905/11364995/Atomistic+Posistioning.png/87c4d256-5d17-4b4f-935c-441bbabceade?t=1592208937000

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

https://www.integratedtesting.org/documents/55905/11364995/Quinoid.png/ade31754-26bd-4c4b-a00b-153b96925cf8?t=1591956999000

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

https://www.integratedtesting.org/documents/55905/11364995/Superheptazethrene.jpg/31313032-ead7-4fa2-a7d4-8d85f72ed647?t=1590758623000

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

https://www.integratedtesting.org/documents/55905/11364995/On-Surface+Synthesis+of+Unsaturated+Carbon+Nanostructures+with+Regularly+Fused+Pentagon-Heptagon+Pairs.png/a1575467-f36c-401f-ad21-701dc3333da8?t=1590141479000

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

https://www.integratedtesting.org/documents/55905/11364995/On-surface+synthesis+of+cumulene-like+polymers+via+two-step.png/87029b8d-dcee-432e-b486-dda686ee3039?t=1588597769000

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

https://www.integratedtesting.org/documents/55905/11364995/Reversible+dehalogenation+in+on-surface+aryl-aryl+coupling.jpg/6e660b40-84cd-4438-b9fd-8dad47792904?t=1587987987000

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

https://www.integratedtesting.org/documents/55905/11364995/Tailoring+topological+order+and+%CF%80-conjugation+to+engineer+quasi-metallic+polymers.jpg/90463edf-4980-41d3-bbf0-66a6e75189d9?t=1587559239000
 

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

 
https://www.integratedtesting.org/documents/55905/11364995/Collective+All%E2%80%90Carbon+Magnetism+in+Triangulene+Dimers.png/79cd45f0-af5b-46ea-a16b-9a2684f53d9f?t=1587130488000

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

https://www.integratedtesting.org/documents/55905/11364995/Controlled+Quantum+Dot+Formation+in+Atomically+Engineered+Graphene+Nanoribbon+Field-Effect+Transistors.jpg/ece7d45a-eadc-477a-b48d-22093ce3d8a7?t=1586333535000

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

https://www.integratedtesting.org/documents/55905/11364995/Massive+Dirac+Fermion+Behavior+in+a+Low+Bandgap+Graphene+Nanoribbon+Near+a+Topological+Phase+Boundary.jpg/94ef925b-0fa7-4240-9e25-0bebdd54d198?t=1581512153000

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

https://www.integratedtesting.org/documents/55905/11364995/Production+and+processing+of+graphene+and+related+materials.jpg/c93c10b9-b532-4aca-9bb3-ea28e3f803e7?t=1580374758000

Production and processing of graphene and related materials

C. Backes et. al.

2D Mater. 7, 022001 (2020). DOI: 10.1088/2053-1583/ab1e0a

https://www.integratedtesting.org/documents/55905/11364995/On-Surface+Dehydro-Diels%E2%80%93Alder+Reaction+of+Dibromo-bis%28phenylethynyl%29benzene.png/4610db8c-8150-4190-a3f3-392c070c1b04?t=1580371543000

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

https://www.integratedtesting.org/documents/55905/11364995/Optical+imaging+and+spectroscopy+of+atomically+precise+armchair+graphene+nanoribbons.jpg/4d432874-074d-43e0-aaba-dd951a5dacda?t=1580371644000

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

https://www.integratedtesting.org/documents/55905/11364995/Topological+defect-induced+magnetism+in+a+nanographene.jpg/f6ea855d-18c6-4b05-a58e-fbdb86fd67ee?t=1578404116000

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

https://www.integratedtesting.org/documents/55905/6294507/Mateo.jpg/95ece8de-92c9-40a8-9cb4-ea250a98ba55?t=1578664938000

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

https://www.integratedtesting.org/documents/55905/6294507/Magnetic.png/bd3ab73a-4066-4dc3-8168-60a7e2f06224?t=1575909871000

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