activity
19962021
most citedOn the physisorption of water on graphene: a CCSD(T) study

207 citations · 940 across the 27 of their papers we have counts for

collaborators

28 papers

cond-mat.mtrl-sci2021★ 4 cited

Graphene Layer Morphology as an Indicator of the Metals Alloy Formation at the Interface

Elena Voloshina, Beate Paulus, Yuriy Dedkov

The intercalation of different species in graphene-metal interfaces is widely used to stabilise the artificial phases of different materials. However, formation of the surface allo…

cond-mat.mtrl-sci2021★ 1 cited

Modification of the magnetic and electronic properties of the graphene-Ni(111) interface via halogens intercalation

Yong Zhou, Roman Ovcharenko, Beate Paulus +2

Electronic decoupling of graphene from metallic and semiconducting substrates via intercalation of different species is one of the widely used approaches in studies of graphene. In…

cond-mat.mes-hall2021★ 3 cited

Synthesis of Multifunctional Charge Transfer Agents: Towards Single Walled Carbon Nanotubes with Defined Covalent Functionality and Preserved π System

Alphonse Fiebor, Antonio Setaro, Andreas J. Achazi +6

The attachment of well-defined charge transfer agents to the surface of nanomaterials is an efficient strategy to control their charge density and also to tune their optical, elect…

cond-mat.mtrl-sci2019★ 4 cited

Electronic structure and magnetic properties of the graphene/Ni3Mn/Ni(111) trilayer

Elena Voloshina, Qilin Guo, Beate Paulus +6

Experimental and theoretical studies of manganese deposition on graphene/Ni(111) shows that a thin ferromagnetic Ni3Mn layer, which is protected by the graphene overlayer, is forme…

physics.chem-ph2018★ 5 cited

Quantification of electron correlation effects - Quantum Information Theory versus Method of Increments

Christian Stemmle, Beate Paulus

Understanding electron correlation is crucial for developing new concepts in electronic structure theory, especially for strongly correlated electrons. We compare and apply two dif…

cond-mat.mtrl-sci2018★ 36 cited

The graphene/n-Ge(110) interface: structure, doping, and electronic properties

Julia Tesch, Fabian Paschke, Mikhail Fonin +10

The implementation of graphene in semiconducting technology requires the precise knowledge about the graphene-semiconductor interface. In our work the structure and electronic prop…