From the 1 of 28 linked papers with an AI index.
29.3k citations · 39k across the 28 of their papers we have counts for
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Unconventional band structure via combined molecular orbital and lattice symmetries in a surface-confined metallated graphdiyne sheet
Ignacio Piquero-Zulaica, Wenqi Hu, Ari Paavo Seitsonen +13
Graphyne (GY) and graphdiyne (GDY)-based materials represent an intriguing class of two-dimensional (2D) carbon-rich networks with tunable structures and properties surpassing thos…
The Winner Takes It All: Carbon Supersedes Hexagonal Boron Nitride with Graphene on Transition Metals at High Temperatures
Adrian Hemmi, Ari Paavo Seitsonen, Thomas Greber +1
The production of high-quality hexagonal boron nitride (h-BN) is essential for the ultimate performance of two-dimensional (2D) materials-based devices, since it is the key 2D enca…
Temperature induced change of conformation of Sc2TbN@C80 on h-BN/Ni(111)
R. Stania, A. P. Seitsonen, H. Y. Jung +5
The conformation of molecules on surfaces is decisive for their functionality. For the case of the endofullerene paramagnet Sc2TbN@C80 the conformation is linked to an electric and…
Graphene-ionic liquid interfacial potential drop from DFT-MD simulations
Heigo Ers, Meeri Lembinen, Maksim Mišin +3
Ionic liquids (IL) are promising electrolytes for electrochemical applications due to their remarkable stability and high charge density. Molecular dynamics simulations are essenti…
Epitaxial Synthesis of Blue Phosphorene
Wei Zhang, Hanna Enriquez, Yongfeng Tong +6
Phosphorene is a new two-dimensional material composed of a single or few atomic layers of black phosphorus. Phosphorene has both an intrinsic tunable direct band gap and high carr…
An electron acceptor molecule in a nanomesh: F4TCNQ on h-BN/Rh(111)
Huanyao Cun, Ari Paavo Seitsonen, Silvan Roth +4
The adsorption of molecules on surfaces affects the surface dipole and thus changes in the work function may be expected. The effect in change of work function is particularly stro…