Precise Large-Scale Chemical Transformations on Surfaces: Deep Learning Meets Scanning Probe Microscopy with Interpretability

N. Wu, M. Aapro, J. S. Jestilä, R. Drost, M. Martínez García, T. Torres, F. Xiang, N. Cao, Z. He, G. Bottari, P. Liljeroth,  A. S. Foster

J. Am. Chem. Soc. just accepted manuscript (2024). DOI: 10.1021/jacs.4c14757

Preferential graphitic-nitrogen formation in pyridine-extended graphene nanoribbons

N. Bassi, X. Xu, F. Xiang, N. Krane, C. A. Pignedoli, A. Narita, R. Fasel, P. Ruffieux

Commun. Chem. 7, 274 (2024). DOI: 10.1038/s42004-024-01344-7

Tunable topological phases in nanographene-based spin-1/2 alternating-exchange Heisenberg chains

C. Zhao, G. Catarina, J.-J. Zhang,  J. C. G. Henriques, L.Yang, J. Ma, X. Feng, O. Gröning, P. Ruffieux , J. Fernández-Rossier, R. Fasel

Nat. Nanotechnol. 19, 1789-1795 (2024). DOI: 10.1038/s41565-024-01805-z

Two-Level Electronic Switching in IndividualManganese-Phthalocyanine Molecules withJahn−Teller Distortion

L. Liu, T. Dienel, C. A. Pignedoli, R. Widmer, X. Song, Y. Wang, O. Gröning

ACS Nano 18, 31967−31973 (2024). DOI: 10.1021/acsnano.4c09815

Controllable orbital angular momentum monopoles in chiral topological semimetals

Y. Yen, J. A. Krieger, M. Yao, I. Robredo, K. Manna, Q. Yang, E. C. McFarlane, C. Shekhar, H. Borrmann, S. Stolz, R. Widmer, O. Gröning, V. N. Strocov, S. S. P. Parkin, C. Felser, M. G. Vergniory, M. Schüler, N. B. M. Schröter

Nat. Phys. 20, 1912-1918 (2024). DOI: 10.1038/s41567-024-02655-1

Conformational tuning of magnetic interactions in coupled nanographenes

G. Catarina, E. Turco, N. Krane, M. Bommert, A. Ortega-Guerrero, O. Gröning, P. Ruffieux, R. Fasel, C.A. Pignedoli

Nano Lett. 24, 12536−12544 (2024). DOI: 10.1021/acs.nanolett.4c03518

Magnetic Excitations in Ferromagnetically Coupled Spin-1 Nanographenes

E. Turco, F. Wu, G. Catarina, N. Krane, J. Ma, R. Fasel, X. Feng, P. Ruffieux

Angew. Chem. Int. Ed. just accepted manuscript (2024). DOI: 10.1002/anie.202412353

Advancing scanning probe microscopy simulations: A decade of development in probe-particle models

N. Oinonen, A. V. Yakutovich, A. Gallardo, M. Ondráček, P. Hapala, O. Krejčí

Comput. Phys. Commun. 305, 109341 (2024). DOI: 10.1016/j.cpc.2024.109341

Influence of rhenium concentration on charge doping and defect formation in MoS₂

K. T. Munson, R. Torsi, F. Habis, L. Huberich, Y. C. Lin, Y. Yuan, K. Wang, B. Schuler, Y. Wang, J. B. Asbury, J. A. Robinson

Adv. Electron. Mater. 2400403 (2024). DOI: 10.1002/aelm.202400403

Atomically Precise Graphene Nanoribbon Transistors with Long-Term Stability and Reliability

C. Dinh, M. Yusufoglu, K. Yumigeta, A. Kinikar, T. Sweepe, Z. Zeszut, Y.-J. Chang, C. Copic, S. Janssen, R. Holloway, J. Battaglia, A. Kuntubek, F. Zahin, Y. C. Lin, W. G. Vandenberghe, B. J. LeRoy, K. Müllen, R. Fasel, G. Borin Barin, Z. Mutlu

ACS Nano 18, 34, 22949 - 22957 (2024). DOI: 10.1021/acsnano.4c04097

Charge induced frustration in C60 monolayers on h-BN/Ni(111)

M. Bommert, A. Kinikar, M. A. Moro, N. Merino Diez, F. Xiang, N. Krane, N. Bassi, R. Widmer, O. Gröning

Carbon 228, 119370 (2024). DOI: 10.1016/j.carbon.2024.119370

Weyl spin-momentum locking in a chiral topological semimetal

J. A. Krieger, S. Stolz, I. Robredo, K. Manna, E. C. McFarlane, M. Date, B. Pal, J. Yang, E. B. Guedes, J. H. Dil, C. M. Polley, M. Leandersson, C. Shekhar, H. Borrmann, Q. Yang, M. Lin, V. N. Strocov, M. Caputo, M. D. Watson, T. K. Kim, C. Cacho, F. Mazzola, J. Fujii, I. Vobornik, S. Parkin, B. Bradlyn, C. Felser, M. G. Vergniory, N. B. M. Schröter

Nat. Commun. 15, 3720 (2024). DOI: 10.1038/s41467-024-47976-0

Electronic Decoupling and Hole-Doping of Graphene Nanoribbons on Metal Substrates by Chloride Intercalation

A. Kinikar, T. G. Englmann, M. Di Giovannantonio, N. Bassi, F. Xiang, S. Stolz, R. Widmer, G. Borin Barin, E. Turco, K. Eimre, N. Merino Díez, A. Ortega-Guerrero, X. Feng, O. Gröning, C. A. Pignedoli, R. Fasel, P. Ruffieux

ACS Nano 18, 26, 16622 - 16631 (2024). DOI: 10.1021/acsnano.4c00484

Demonstrating Kondo behavior by temperature-dependent scanning tunneling spectroscopy

E. Turco, M. Aapro, S.C. Ganguli, N. Krane, R. Drost, N. Sobrino, A. Bernhardt, M. Juricek, R. Fasel, P. Ruffieux, P. Liljeroth, D. Jacob

Phys. Rev. Res. 6, L022061 (2024). DOI: 10.1103/PhysRevResearch.6.L022061

Towards the Tetrabenzo-Fused Circumazulene via In-Solution and On-Surface Synthesis

F. Wu, W. Xu, Y. Fu, R. Liu, L. Yang, P. Ruffieux, R. Fasel, J. Ma, X. Feng

Organic Materials 6, 71–77 (2024). DOI: 10.1055/a-2333-9789

Ultrafast state-selective tunneling in two-dimensional semiconductors with a phase- and amplitude-controlled THz-scanning tunneling microscope

L. Bobzien, J. Allerbeck, S. E. Ammerman, R. Torsi, J. A. Robinson, B. Schuler

APL Mater. 12, 051110 (2024). DOI: 10.1063/5.0200845

Resonant Raman in armchair graphene nanoribbons from first-principles

N. Sheremetyeva, M. Lamparski, L. Liang, G. Borin Barin, V. Meunier

Carbon 227, 119164 (2024). DOI: 10.1016/j.carbon.2024.119164

Challenges in advancing our understanding of atomic-like quantum systems: theory and experiment

A. Galli, A. Schleife, A. J. Heinrich, A. Laucht, B. Schuler, C. Chakraborty, C. P. Anderson, C. Déprez, J. McCallum, L. C. Bassett, M. Friesen, M. E. Flatté, P. Maurer, S. N. Coppersmith, T. Zhong, V. Begum-Hudde, Y. Ping

MRS Bulletin 49, 256-276 (2024). DOI: 10.1557/s43577-023-00659-5

Charge state-dependent symmetry breaking of atomic defects in transition metal dichalcogenides

F. Xiang, L. Huberich, P. A. Vargas, R. Torsi, J. Allerbeck, A. M. Z. Tan, C. Dong, P. Ruffieux, R. Fasel, O. Gröning, Y.-C. Lin, R. G. Hennig, J. A. Robinson, B. Schuler

Nat. Commun. 15, 2738 (2024). DOI: 10.1038/s41467-024-47039-4

Electric field tunable bandgap in twisted double trilayer graphene

M. L. Perrin, A. Jayaraj, B. Ghawri, K. Watanabe, T. Taniguchi, D. Passerone, M. Calame, J. Zhang

npj 2D Mater. Appl. 8, 14 (2024). DOI: 10.1038/s41699-024-00449-w

On-surface cyclization of vinyl groups on poly-para-phenylene involving an unusual pentagon to hexagon transformation

M. Di Giovannantonio, Z. Qiu, C. A. Pignedoli, S. Asako, P. Ruffieux, K. Müllen, A. Narita, R. Fasel

Nat. Commun. 15, 1910 (2024). DOI: 10.1038/s41467-024-46173-3

Asymmetric Molecular Adsorption and Regioselective Bond Cleavage on Chiral PdGa Crystals

N. Merino-Diez, R. Amador, S. T. Stolz, D. Passerone, R. Widmer, O. Gröning

Adv. Sci. 2309081 (2024). DOI: 10.1002/advs.202309081

On-Surface Synthesis of Anthracene-Fused Zigzag Graphene Nanoribbons from 2,7-Dibromo-9,9′-bianthryl Reveals Unexpected Ring Rearrangements

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

Precis. Chem. 2, 81-87 (2024). DOI: 10.1021/prechem.3c00116

Tailoring magnetism of graphene nanoflakes via tip-controlled dehydrogenation

C. Zhao, Q. Huang, L. Valenta, K. Eimre, L. Yang, A.V. Yakutovich, W. Xu, J. Ma, X. Feng, M. Juríček, R. Fasel, P. Ruffieux, C.A. Pignedoli

Phys. Rev. Lett. 132, 046201 (2024). DOI: 10.1103/PhysRevLett.132.046201

Dramatic Acceleration of the Hopf Cyclization on Gold(111): From Enediynes to Peri-Fused Diindenochrysene Graphene Nanoribbons

C. Zhao, D. D. Bhagwandin, W. Xu, P. Ruffieux, S. I. Khan, C. A. Pignedoli, R. Fasel, Y. Rubin

JACS 146, 4, 2474–2483 (2024). DOI: 10.1021/jacs.3c10144

How to verify the precision of density-functional-theory implementations via reproducible and universal workflows

E. Bosoni, L. Beal, M. Bercx, P. Blaha, S. Blügel, J. Bröder, M. Callsen, S. Cottenier, A. Degomme, V. Dikan, K. Eimre, E. Flage-Larsen, M. Fornari, A. Garcia, L. Genovese, M. Giantomassi, S. P. Huber, H. Janssen, G. Kastlunger, M. Krack, G. Kresse, T. D. Kühne, K. Lejaeghere, G. K. H. Madsen, ... , A. V. Yakutovich, J. Yu, A. Zadoks, B. Zhu, G. Pizzi

Nat. Rev. Phys. 6, 45–58 (2024). DOI: 10.1038/s42254-023-00655-3

Sterically selective [3+3] cycloaromatization in the on-surface synthesis of nanographenes

A. Kinikar, X.-Y. Wang, M. Di Giovannantonio, J.I. Urgel, P. Liu, K. Eimre, C.A. Pignedoli, S. Stolz, M. Bommert, S. Mishra, Q. Sun, R. Widmer, Z. Qiu, A. Narita, K. Müllen, P. Ruffieux, R. Fasel

ACS Nanosci. Au 4, 2, 128–135 (2024). DOI: 10.1021/acsnanoscienceau.3c00062

Quantifying alignment and quality of graphene nanoribbons: A polarized Raman spectroscopy approach

R. Darawish, J. Overbeck, K. Müllen, M. Calame, P. Ruffieux, R. Fasel, G. Borin Barin

Carbon 218, 118688 (2024). DOI: 10.1016/j.carbon.2023.118688

Ambipolar charge transfer of larger fullerenes enabled by the modulated surface potential of h-BN/Rh(111)

M. Bommert, B. Schuler, C. A. Pignedoli, R. Widmer, O. Gröning

Carbon 216, 118592 (2024). DOI: 10.1016/j.carbon.2023.118592