159 citations · 1.2k across the 23 of their papers we have counts for
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Effect of flexural phonons on the hole states in single-layer black phosphorus
S. Brener, A. N. Rudenko, M. I. Katsnelson
Flexural thermal fluctuations in crystalline membranes affect the band structure of the carriers, which leads to an exponential density-of-states (DOS) tail beyond the unperturbed…
Polaronic effects in monolayer black phosphorus on polar substrates
A. Mogulkoc, Y. Mogulkoc, A. N. Rudenko +1
We investigate the effect of charge carrier interaction with surface optical phonons on the band properties of monolayer black phosphorus induced by polar substrates. We develop an…
Transport and Optical Properties of Single- and Bilayer Black Phosphorus with Defects
Shengjun Yuan, A. N. Rudenko, M. I. Katsnelson
We study the electronic and optical properties of single- and bilayer black phosphorus with shortand long-range defects by using the tight-binding propagation method. Both types of…
Exchange interactions and frustrated magnetism in single-side hydrogenated and fluorinated graphene
A. N. Rudenko, F. J. Keil, M. I. Katsnelson +1
Magnetism in single-side hydrogenated (CH) and fluorinated (CF) graphene is analyzed in terms of the Heisenberg model with parameters determined from first principles. We p…
Interfacial interactions between local defects in amorphous SiO and supported graphene
A. N. Rudenko, F. J. Keil, M. I. Katsnelson +1
We present a density functional study of graphene adhesion on a realistic SiO surface taking into account van der Waals (vdW) interactions. The SiO substrate is modeled at…
Graphene adhesion on mica: Role of surface morphology
A. N. Rudenko, F. J. Keil, M. I. Katsnelson +1
We investigate theoretically the adhesion and electronic properties of graphene on a muscovite mica surface using the density functional theory (DFT) with van der Waals (vdW) inter…
Adsorption of diatomic halogen molecules on graphene: A van der Waals density functional study
A. N. Rudenko, F. J. Keil, M. I. Katsnelson +1
The adsorption of fluorine, chlorine, bromine, and iodine diatomic molecules on graphene has been investigated using density functional theory with taking into account nonlocal cor…