Publications 2021

/documents/55905/15639407/Controllable+p-Type+Doping+of+2D+WSe2+via+Vanadium+Substitution/d0ffa2a0-af82-4f20-a09c-a151724c91ce?t=1628055119133

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

/documents/55905/15639407/On-surface+synthesis+of+%CF%80-conjugated+ladder-type+polymers+comprising+nonbenzenoid+moieties/6dd24371-c73f-4a32-96bb-9093cfd74ce7?t=1625555349813

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

/documents/55905/15639407/On-surface+activation+of+benzylic+C%E2%80%93H+bonds+for+the+synthesis+of+pentagon-fused+graphene+nanoribbons/4e97538c-13cb-4b73-a892-6a77582ef037?t=1624951533487

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

/documents/55905/15639407/The+role+of+chalcogen+vacancies+for+atomic+defect+emission+in+MoS2/5fb19d67-e8fd-45c6-a7d9-1b4653962eaa?t=1624604891253

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

/documents/55905/15639407/Metallic+carbon+nanotube+quantum+dots+with+broken+symmetries+as+a+platform+for+tunable+terahertz+detection/24197ddf-dbb8-4989-aef6-9778729088b6?t=1621586854690

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

/documents/55905/15639407/Edge+Disorder+in+Bottom-Up+Zigzag+Graphene+Nanoribbons_Implications+for+Magnetism+and+Quantum+Electronic+Transport/b80187df-ec5c-4192-9ade-4db869f6aa5c?t=1621425754650

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

/documents/55905/15639407/Large+magnetic+exchange+coupling+in+rhombus-shaped+nanographenes+with+zigzag+periphery/8a73b667-8770-4f9b-ad57-f4713d5c3370?t=1620748799150

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

/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/5ee09e94-96b6-428b-8885-17c993ee98b0?t=1620801488797

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

/documents/55905/15639407/Anharmonic+effects+on+the+dynamics+of+solid+aluminium+from+ab+initio+simulations/45481fd3-3018-4ba1-8d49-6c15f40ae24b?t=1620365367887

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

/documents/55905/15639407/Quantum+electronic+transport+across+%E2%80%98bite%E2%80%99+defects+in+graphene+nanoribbons/94d32815-462c-4c81-9a01-2ed5161b225a?t=1620326190327

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

/documents/55905/15639407/Exploring+intramolecular+methyl-methyl+coupling/95482ae7-a1bc-4746-a70f-36a8906aed35?t=1618582866957

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

/documents/55905/15639407/The+role+of+methyl+groups/0a826b71-7d83-474c-b3ff-662d8404f51e?t=1617021324727

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

/documents/55905/15639407/On-Surface+Synthesis+of+Dibenzohexacenohexacene+and+Dibenzopentaphenoheptaphene/14041efd-e1f0-4a47-b487-8e50fa17ba83?t=1617005725427

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

/documents/55905/15639407/Simulating+the+ghost/d99253d1-d35c-4ab6-9bfe-e03b86d4d11f?t=1615889024933

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

/documents/55905/15639407/Mapping+the+structure+of+oxygen-doped/358aeeb0-1897-4a6a-8732-a5b28e6d7386?t=1615889129073

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

/documents/55905/15639407/Asymmetric+azide+alkyne/642391f2-6763-41de-bf89-31e858d343ff?t=1614675272700

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

/documents/55905/15639407/SPS+Communications+63/0fd688fc-3929-4da6-b826-50e18c379dc0?t=1614587359997

Fitting a motor in a 1nm3 cube

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

SPS Communications 63, Progress in Physics 78

/documents/55905/15639407/Synthesis+and+characterization+of+%5B7%5Dtriangulene/210e165a-afcd-4e9b-b64c-baf0a6ffea46?t=1610113581740

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

/documents/55905/15639407/On-surface+synthesis+of+singly+and+doubly+porphyrin-capped+graphene+nanoribbon+segments/514b1e97-3245-4ce5-9b9c-53cd0c618733?t=1610113655240

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

/documents/55905/15639407/AiiDAlab+%E2%80%93+an+ecosystem+for+developing%2C+executing%2C+and+sharing+scientific+workflows/d45a0311-958a-45f8-85a7-ef83231fa954?t=1610027781207

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

/documents/55905/15639407/Graphene+nanoribbons+with+mixed+cove-cape-zigzag+edge+structure/a144579b-d7dd-48be-af4d-c8f71646ea21?t=1609835904130

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