M
Menno Bokdam
Researcher at University of Vienna
Publications - 34
Citations - 1672
Menno Bokdam is an academic researcher from University of Vienna. The author has contributed to research in topics: Perovskite (structure) & Density functional theory. The author has an hindex of 18, co-authored 31 publications receiving 1310 citations. Previous affiliations of Menno Bokdam include University of Twente & MESA+ Institute for Nanotechnology.
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Journal ArticleDOI
Tunable ferroelectric polarization and its interplay with spin-orbit coupling in tin iodide perovskites.
Alessandro Stroppa,Domenico Di Sante,Paolo Barone,Menno Bokdam,Georg Kresse,Cesare Franchini,Myung-Hwan Whangbo,Silvia Picozzi +7 more
TL;DR: Using density functional theory simulations and symmetry analysis, it is shown that the lead-free perovskite iodide (FA)SnI3, containing the planar formamidinium cation FA, (NH2CHNH2)(+), is ferroelectric.
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Phase Transitions of Hybrid Perovskites Simulated by Machine-Learning Force Fields Trained on the Fly with Bayesian Inference.
Ryosuke Jinnouchi,Ryosuke Jinnouchi,Jonathan Lahnsteiner,Ferenc Karsai,Georg Kresse,Menno Bokdam +5 more
TL;DR: An on-the-fly machine learning scheme that generates force fields automatically during molecular dynamics simulations, which opens up the required time and length scales, while retaining the distinctive chemical precision of first principles methods and minimizing the need for human intervention.
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Role of Polar Phonons in the Photo Excited State of Metal Halide Perovskites
Menno Bokdam,Tobias Sander,Alessandro Stroppa,Silvia Picozzi,D. D. Sarma,Cesare Franchini,Georg Kresse +6 more
TL;DR: In this article, a relativistic Bethe-Salpeter Equation calculation (GW-BSE) was used to directly calculate excitonic properties from first-principles.
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Electrostatic doping of graphene through ultrathin hexagonal boron nitride films
TL;DR: In this paper, first-principles density functional theory (DFT) calculations for Cu|h-BN|graphene stacks were used to study how the graphene doping depends on the thickness of the h-BN layer and on a potential difference applied between Cu and graphene.
Journal ArticleDOI
Electrostatic Doping of Graphene through Ultrathin Hexagonal Boron Nitride Films
TL;DR: In this article, first-principles density functional theory (DFT) calculations for Cu|h-BN|graphene stacks were used to study how the graphene doping depends on the thickness of the h-BN layer and on a potential difference applied between Cu and graphene.