Resonant Raman in armchair graphene nanoribbons from first-principles

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

Carbon in press (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