681 citations · 1.1k across the 8 of their papers we have counts for
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cond-mat.mtrl-sci2014★ 681 cited
Quasiparticle band structure and tight-binding model for single- and bilayer black phosphorus
Alexander N. Rudenko, Mikhail I. Katsnelson
By performing \emph{ab initio} calculations for one- to four-layer black phosphorus within the approximation, we obtain a significant difference in the band gap (1.5 eV)…
cond-mat.mtrl-sci2014★ 25 cited
Single 3 transition metal atoms on multi-layer graphene systems: electronic configurations, bonding mechanisms and role of the substrate
V. Sessi, S. Stepanow, A. N. Rudenko +8
The electronic configurations of Fe, Co, Ni, and Cu adatoms on graphene and graphite have been studied by x-ray magnetic circular dichroism and charge transfer multiplet theory. A…
cond-mat.mtrl-sci2012★ 81 cited
Adsorption of cobalt on graphene: Electron correlation effects from a quantum chemical perspective
A. N. Rudenko, F. J. Keil, M. I. Katsnelson +1
In this work, we investigate the adsorption of a single cobalt atom (Co) on graphene by means of the complete active space self-consistent field approach, additionally corrected by…