16 citations · 17 across the 5 of their papers we have counts for
5 papers
Learning Inhomogeneous Heisenberg Hamiltonians in Nanographene Spin Chains
Greta Lupi, Saketh Ravuri, Chenxiao Zhao +9
Inferring microscopic Hamiltonians from experimental data is a central challenge in quantum materials and quantum simulation. In low-dimensional spin systems, exchange interactions…
Interfacial Coupling and Sparse Intercalation of 7-Atom-Wide Armchair Graphene Nanoribbons by N-Heterocyclic Carbene Monolayers
Dominik Lüthi, Lin Yang, Xiuling Yu +5
Graphene nanoribbons (GNRs) synthesized on metal substrates experience electronic coupling and screening from the underlying surface, which, although often weak, can modify their o…
Topological Woodward-Hoffmann classification for cycloadditions in polycyclic aromatic azomethine ylides
Juan Li, Amir Mirzanejad, Wen-Han Dong +13
The study of cycloaddition mechanisms is central to the fabrication of extended sp2 carbon nanostructures. Reaction modeling in this context has focused mostly on putative, energet…
Electronic decoupling and hole-doping of graphene nanoribbons on metal substrates by chloride intercalation
Amogh Kinikar, Thorsten G. Englmann, Marco Di Giovannantonio +14
Atomically precise graphene nanoribbons (GNRs) have a wide range of electronic properties that depend sensitively on their chemical structure. Several types of GNRs have been synth…
First-principles modeling of the polycyclic aromatic hydrocarbons reduction
D. W. Boukhvalov, X. Feng, K. Müllen
Density functional theory modelling of the reduction of realistic nanographene molecules (C42H18, C48H18 and C60H24) by molecular hydrogen evidences for the presence of limits in t…