activity
20152021
most citedElectronic structure and phase stability of oxide semiconductors: Performance of dielectric-dependent hybrid functional DFT, benchmarked against band structure calculations and experiments

178 citations · 472 across the 7 of their papers we have counts for

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Showing 2021Show all

2 papers · 1 filter

cond-mat.mtrl-sci2021★ 12 cited

Prediction of 2D ferromagnetism and monovalent europium ions in the EuBr/graphene heterojunctions

Haoyi Tan, Guangcun Shan, Gianfranco Pacchioni

Europium, one of the rare earth elements, exhibits +2 and +3 valence states and has been widely used for magnetic modification of materials. Based on density functional theory calc…

cond-mat.mtrl-sci2021★ 40 cited

Cluster Catalysis with Lattice Oxygen: Tracing Oxygen Transport from a Magnetite(001) Support onto Small Pt Clusters

Sebastian Kaiser, Farahnaz Maleki, Ke Zhang +6

Oxidation catalysis on reducible oxide-supported small metal clusters often involves lattice oxygen. In the present work, we trace the path of lattice oxygen from Fe3O4(001) onto s…