Publications 2021

https://www.integratedtesting.org/documents/55905/15639407/Short-Channel+Double-Gate+FETs+with+Atomically+Precise+Graphene+Nanoribbons.jpg/90ba359c-1c70-48ff-bf45-78ca3e64905b?t=1648019342000

Short-Channel Double-Gate FETs with Atomically Precise Graphene Nanoribbons

Z. Mutlu, Y. Lin, G. Borin Barin, Z. Zhang, G. Pitner S. Wang, R. Darawish, M. Di Giovannantonio, H. Wang, J. Cai, M. Passlack, C. H. Diaz, A. Narita, K. Müllen, F. R. Fischer, P. Bandaru, A. C. Kummel, P. Ruffieux, R. Fasel, and J. Bokor

IEEE International Electron Devices Meeting (IEDM), 2021, pp. 37.4.1-37.4.4 (2021). DOI: 10.1109/IEDM19574.2021.9720620

https://www.integratedtesting.org/documents/55905/15639407/Spin-dependent+vibronic+response+of+a+carbon+radical+ion+in+two-dimensional+WS2.png/f1631572-2734-498a-9306-e6ec86dbd25e?t=1639654245000

Spin-dependent vibronic response of a carbon radical ion in two-dimensional WS2

K.A. Cochrane, J.-H. Lee, C. Kastl, J.B. Haber, T. Zhang, A. Kozhakhmetov, J.A. Robinson, M. Terrones, J. Repp, J.B. Neaton, A. Weber-Bargioni, B. Schuler

Nat. Commun. 12, 7287 (2021). DOI: 10.1038/s41467-021-27585-x

https://www.integratedtesting.org/documents/55905/15639407/Hydrogen+bonded+trimesic+acid+networks+on+Cu%28111%29+reveal+how+basic+chemical+properties+are+imprinted+in+HR-AFM+images.png/32fe4bda-de1c-4f02-b762-c26b12414941?t=1639655597000

Hydrogen bonded trimesic acid networks on Cu(111) reveal how basic chemical properties are imprinted in HR-AFM images

P. Zahl, A.V. Yakutovich, E. Ventura-Macías, J. Carracedo-Cosme, C. Romero-Muñiz, P. Pou, J.T. Sadowski, M.S. Hybertsen, R. Pérez 

Nanoscale 13 (44), 18473-18482 (2021). DOI: 10.1039/D1NR04471K

https://www.integratedtesting.org/documents/55905/15639407/Lightwave-driven+scanning+tunnelling+spectroscopy+of+atomically+precise+graphene+nanoribbons.jpg/2dff6677-0aef-43a7-973f-68bcdfb02613?t=1637740873000

Lightwave-driven scanning tunnelling spectroscopy of atomically precise graphene nanoribbons

S. E. Ammerman, V. Jelic, Y. Wei, V. N. Breslin, M. Hassan, N. Everett, S. Lee, Q. Sun, C. A. Pignedoli, P. Ruffieux, R. Fasel & T. L. Cocker

Nat. Commun. 12, 6794 (2021). DOI: 10.1038/s41467-021-26656-3

https://www.integratedtesting.org/documents/55905/15639407/Observation+of+fractional+edge+excitations+in+nanographene+spin+chains.jpg/49297e1b-af71-487a-ac3a-d9822d283475?t=1634141216000

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 (7880), 287-292 (2021). DOI: 10.1038/s41586-021-03842-3

https://www.integratedtesting.org/documents/55905/15639407/Engineering+and+probing+atomic+quantum+defects+in+2D+semiconductors_A+perspective.jpeg/ae8fc3fb-7d06-40af-a380-f848b6a37a01?t=1633936292000

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

https://www.integratedtesting.org/documents/55905/15639407/Asymmetric+Elimination+Reaction+on+Chiral+Metal+Surfaces.png/932e13f8-7c0c-4f33-9695-b01a5274958f?t=1634029382000

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. 202104481 (2021). DOI: 10.1002/adma.202104481

https://www.integratedtesting.org/documents/55905/15639407/Common+workflows+for+computing+material+properties+using+different+quantum+engines.png/6a5648b7-a4b2-4c30-93fb-4de5514e4120?t=1632129922000

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

https://www.integratedtesting.org/documents/55905/15639407/Evolution+of+the+Topological+Energy+Band+in+Graphene+Nanoribbons.jpeg/c1a05b20-746f-47c6-aaee-946b3c56650e?t=1631611164000

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

https://www.integratedtesting.org/documents/55905/15639407/Robust%2C+Multi-Length-Scale%2C+Machine+Learning+Potential+for+Ag%E2%88%92Au+Bimetallic+Alloys+from+Clusters+to+Bulk+Materials.jpeg/5aa3f899-c050-46e9-83f9-944479b4d3e3?t=1631620225000

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 (31), 17438−17447 (2021). DOI: 10.1021/acs.jpcc.1c04403

https://www.integratedtesting.org/documents/55905/15639407/On-surface+synthesis+of+organocopper+metallacycles+through+activation+of+inner+diacetylene+moieties.jpg/4c1ed70a-f7b3-4021-ab10-f42f1fe6e2b9?t=1630405049000

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 (38), 12806-12811 (2021). DOI: 10.1039/D1SC03703J

https://www.integratedtesting.org/documents/55905/15639407/On-Surface+Synthesis+and+Characterization+of+Super-nonazethrene.jpeg/014c7bf7-9727-40c4-943d-88fe35aacfad?t=1629978319000

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

https://www.integratedtesting.org/documents/55905/15639407/Optimized+Graphene+Electrodes+for+contacting+Graphene+Nanoribbons.jpg/ffbdbfba-c69d-406b-b178-3dbb4db52ae6?t=1629716699000

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

https://www.integratedtesting.org/documents/55905/15639407/Controllable+p-Type+Doping+of+2D+WSe2+via+Vanadium+Substitution.jpg/d0ffa2a0-af82-4f20-a09c-a151724c91ce?t=1628055119000

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. 31 (42), 2105252 (2021). DOI: 10.1002/adfm.202105252

https://www.integratedtesting.org/documents/55905/15639407/Efficient+photogeneration+of+nonacene+on+nanostructured+graphene.jpg/d7aa597c-8e6b-48d0-b662-eb23bd510939?t=1628161572000

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 (9), 744-750 (2021). DOI: 10.1039/D1NH00184A

https://www.integratedtesting.org/documents/55905/15639407/On-surface+synthesis+of+%CF%80-conjugated+ladder-type+polymers+comprising+nonbenzenoid+moieties.jpg/6dd24371-c73f-4a32-96bb-9093cfd74ce7?t=1625555349000

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 (38), 23437 (2021). DOI: 10.1039/D1RA03253D

https://www.integratedtesting.org/documents/55905/15639407/On-surface+activation+of+benzylic+C%E2%80%93H+bonds+for+the+synthesis+of+pentagon-fused+graphene+nanoribbons.jpg/4e97538c-13cb-4b73-a892-6a77582ef037?t=1624951533000

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. 14, 4754-4759 (2021). DOI: 10.1007/s12274-021-3419-2

https://www.integratedtesting.org/documents/55905/15639407/The+role+of+chalcogen+vacancies+for+atomic+defect+emission+in+MoS2.jpg/5fb19d67-e8fd-45c6-a7d9-1b4653962eaa?t=1624604891000

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 (1), 3822 (2021). DOI: 10.1038/s41467-021-24102-y

https://www.integratedtesting.org/documents/55905/15639407/Metallic+carbon+nanotube+quantum+dots+with+broken+symmetries+as+a+platform+for+tunable+terahertz+detection.jpeg/24197ddf-dbb8-4989-aef6-9778729088b6?t=1621586854000

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 (2), 021406 (2021). DOI: 10.1063/5.0018944

https://www.integratedtesting.org/documents/55905/15639407/Edge+Disorder+in+Bottom-Up+Zigzag+Graphene+Nanoribbons_Implications+for+Magnetism+and+Quantum+Electronic+Transport.jpeg/b80187df-ec5c-4192-9ade-4db869f6aa5c?t=1621425754000

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 (19), 4692−4696 (2021). DOI: 10.1021/acs.jpclett.1c00921

https://www.integratedtesting.org/documents/55905/15639407/Large+magnetic+exchange+coupling+in+rhombus-shaped+nanographenes+with+zigzag+periphery.jpg/8a73b667-8770-4f9b-ad57-f4713d5c3370?t=1620748799000

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

https://www.integratedtesting.org/documents/55905/15639407/Bottom%E2%80%90up+Fabrication+and+Atomic%E2%80%90scale+Characterization+of+Triply%E2%80%90linked%2C+Laterally+%CF%80%E2%80%90Extended+Porphyrin+Nanotapes.jpg/5ee09e94-96b6-428b-8885-17c993ee98b0?t=1620801488000

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 (29), 16208-16214 (2021). DOI: 10.1002/anie.202105350

https://www.integratedtesting.org/documents/55905/15639407/Anharmonic+effects+on+the+dynamics+of+solid+aluminium+from+ab+initio+simulations.jpg/45481fd3-3018-4ba1-8d49-6c15f40ae24b?t=1620365367000

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 (17), 175501 (2021). DOI: 10.1088/1361-648X/abc972

https://www.integratedtesting.org/documents/55905/15639407/Quantum+electronic+transport+across+%E2%80%98bite%E2%80%99+defects+in+graphene+nanoribbons.jpg/94d32815-462c-4c81-9a01-2ed5161b225a?t=1620326190000

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 (3), 035025 (2021). DOI: 10.1088/2053-1583/abf716

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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 3 (2), 128-133 (2021). DOI: 10.1055/s-0041-1726295

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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

https://www.integratedtesting.org/documents/55905/15639407/On-Surface+Synthesis+of+Dibenzohexacenohexacene+and+Dibenzopentaphenoheptaphene.png/14041efd-e1f0-4a47-b487-8e50fa17ba83?t=1617005725000

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

https://www.integratedtesting.org/documents/55905/15639407/Simulating+the+ghost.jpg/d99253d1-d35c-4ab6-9bfe-e03b86d4d11f?t=1615885424000

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 (1), 766 (2021). DOI: 10.1038/s41467-021-20914-0

https://www.integratedtesting.org/documents/55905/15639407/Mapping+the+structure+of+oxygen-doped.jpg/358aeeb0-1897-4a6a-8732-a5b28e6d7386?t=1615885529000

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

https://www.integratedtesting.org/documents/55905/15639407/Asymmetric+azide+alkyne.jpg/642391f2-6763-41de-bf89-31e858d343ff?t=1614671672000

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

https://www.integratedtesting.org/documents/55905/15639407/SPS+Communications+63.jpg/0fd688fc-3929-4da6-b826-50e18c379dc0?t=1614583759000

Fitting a motor in a 1nm3 cube

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

SPS Communications 63, Progress in Physics 78

https://www.integratedtesting.org/documents/55905/15639407/Synthesis+and+characterization+of+%5B7%5Dtriangulene.jpg/210e165a-afcd-4e9b-b64c-baf0a6ffea46?t=1610109981000

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 (3), 1624-1628 (2021). DOI: 10.1039/D0NR08181G

https://www.integratedtesting.org/documents/55905/15639407/On-surface+synthesis+of+singly+and+doubly+porphyrin-capped+graphene+nanoribbon+segments.png/514b1e97-3245-4ce5-9b9c-53cd0c618733?t=1610110055000

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 (1), 247-252 (2021). DOI: 10.1039/D0SC04316H

https://www.integratedtesting.org/documents/55905/15639407/AiiDAlab+%E2%80%93+an+ecosystem+for+developing%2C+executing%2C+and+sharing+scientific+workflows.jpg/d45a0311-958a-45f8-85a7-ef83231fa954?t=1610024181000

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, 110165 (2021). DOI: 10.1016/j.commatsci.2020.110165

https://www.integratedtesting.org/documents/55905/15639407/Graphene+nanoribbons+with+mixed+cove-cape-zigzag+edge+structure.jpg/a144579b-d7dd-48be-af4d-c8f71646ea21?t=1609832304000

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