Observation of fractional edge excitations in nanographene spin chains

S. Mishra, G. Catarina, F. Wu, R. Ortiz, D. Jacob, K. Eimre, J. Ma, C. A. Pignedoli, X. Feng, P. Ruffieux, J. Fernández-Rossier, and R. Fasel

Nature 598, 287-292 (2021). DOI: 10.1038/s41586-021-03842-3

Engineering and probing atomic quantum defects in 2D semiconductors: A perspective

J.A. Robinson, B. Schuler

Appl. Phys. Lett. 119, 140501 (2021). DOI: 10.1063/5.0065185

Asymmetric Elimination Reaction on Chiral Metal Surfaces

S. Stolz, M. Danese, M. Di Giovannantonio, J. I. Urgel, Q. Sun, A. Kinikar, M. Bommert, S. Mishra, H. Brune, O. Gröning, D. Passerone, R. Widmer

Adv. Mater. Just accepted manuscript (2021). DOI: 10.1002/adma.202104481

Common workflows for computing material properties using different quantum engines

S. P. Huber, E. Bosoni, M. Bercx, J. Bröder, A. Degomme, V. Dikan, K. Eimre, E. Flage-Larsen, A. Garcia, L. Genovese, D. Gresch, C. Johnston, G. Petretto, S. Poncé, G.-M. Rignanese, C. J. Sewell, B. Smit, V. Tseplyaev, M. Uhrin, D. Wortmann, A. V. Yakutovich, A. Zadoks, P. Zarabadi-Poor, B. Zhu, N. Marzari, G. Pizzi

npj Comput. Mater. 7, 136 (2021). DOI: 10.1038/s41524-021-00594-6

Evolution of the Topological Energy Band in Graphene Nanoribbons

Q. Sun, Y. Yan, X. Yao, K. Müllen, A. Narita, R. Fasel, P. Ruffieux

J. Phys. Chem. Lett. 12, 35, 8679–8684 (2021). DOI: 10.1021/acs.jpclett.1c02541

Robust, Multi-Length-Scale, Machine Learning Potential for Ag−Au Bimetallic Alloys from Clusters to Bulk Materials

C. M. Andolina, M. Bon, D. Passerone, W. A. Saidi

J. Phys. Chem. C 125, 17438−17447 (2021). DOI: 10.1021/acs.jpcc.1c04403

On-surface synthesis of organocopper metallacycles through activation of inner diacetylene moieties 

B. Cirera, D. Écija,N. Martín, W. Auwärter, P. Jelinek, M. Bommert, Q. Sun, S. Stolz, R. Widmer, R. Fasel, J. Santos, M. Di Giovannantonio, J. I. Urgel, A. Riss and P. Mutombo, 

Chem. Sci. 12, 12806-12811 (2021). DOI: 10.1039/D1SC03703J

On-Surface Synthesis and Characterization of Super-nonazethrene

E. Turco, S. Mishra, J. Melidonie, K. Eimre, S. Obermann, C. A. Pignedoli, R. Fasel, X. Feng, P. Ruffieux

J. Phys. Chem. Lett. 12, 34, 8314–8319 (2021). DOI: 10.1021/acs.jpclett.1c02381

Optimized Graphene Electrodes for contacting Graphene Nanoribbons

O. Braun, J. Overbeck, M. El Abbassi, S. Käser, R. Furrer, A. Olziersky, A. Flasby, G. Borin Barin, R. Darawish, K. Müllen, P. Ruffieux, I. Shorubalko, R. Fasel, M. Perrin, M. Calame

Carbon 184, 331-339 (2021). DOI: 10.1016/j.carbon.2021.08.001

Controllable p-Type Doping of 2D WSe2 via Vanadium Substitution

A. Kozhakhmetov, S. Stolz, A. M. Z. Tan, R. Pendurthi, S. Bachu, F. Turker, N. Alem, J. Kachian, S. Das, R. G. Hennig, O. Gröning, B. Schuler, J. A. Robinson

Adv. Funct. Mater. 2105252 (2021). DOI: 10.1002/adfm.202105252

Efficient photogeneration of nonacene on nanostructured graphene

C. G. Ayani, M. Pisarra, J. I. Urgel, J. J. Navarro, C. Díaz, H. Hayashi, H. Yamada, F. Calleja, R. Miranda, R. Fasel. F. Martín, A. Vazquez De Parga

Nanoscale Horiz. 6, 744-750 (2021). DOI: 10.1039/D1NH00184A

On-surface synthesis of π-conjugated ladder-type polymers comprising nonbenzenoid moieties

J. I. Urgel, J. Bock, M. Di Giovannantonio, P. Ruffieux, C. A. Pignedoli, M. Kivala, R. Fasel

RSC Adv. 11, 23437 (2021). DOI: 10.1039/D1RA03253D

On-surface activation of benzylic C–H bonds for the synthesis of pentagon-fused graphene nanoribbons

X. Xu, M. Di Giovannantonio, J. I. Urgel, C. A. Pignedoli, P. Ruffieux, K. Müllen, R. Fasel, A. Narita

Nano Res. (2021). DOI: 10.1007/s12274-021-3419-2

The role of chalcogen vacancies for atomic defect emission in MoS₂

E. Mitterreiter, B. Schuler, A. Micevic, D. Hernangómez-Pérez, K. Barthelmi, K. A. Cochrane, J. Kiemle, F. Sigger, J. Klein, E. Wong, E. S. Barnard, K. Watanabe, T. Taniguchi, M. Lorke, F. Jahnke, J. J. Finley, A. M. Schwartzberg, D. Y. Qiu, S. Refaely-Abramson, A. W. Holleitner, A. Weber-Bargioni, C. Kastl

Nat. Commun. 12, 3822 (2021). DOI: 10.1038/s41467-021-24102-y

Metallic carbon nanotube quantum dots with broken symmetries as a platform for tunable terahertz detection

G. Buchs, M. Marganska, J. W. González, K. Eimre, C. A. Pignedoli, D. Passerone, A. Ayuela, O. Gröning, and D. Bercioux

Appl. Phys. Rev. 8, 021406 (2021). DOI: 10.1063/5.0018944

Edge Disorder in Bottom-up Zigzag Graphene Nanoribbons: Implications for Magnetism and Quantum Electronic Transport

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

J. Phys. Chem. Lett. 12, 4692−4696 (2021). DOI: 10.1021/acs.jpclett.1c00921

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. 13, 581-586 (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. 60, 16208-16214 (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