Veröffentlichungen "Leppert, Linn"

2023

Volpert, Sabrina ; Hashemi, Zohreh ; Förster, Johannes ; Marques, Mario R. G. ; Schelter, Ingo ; Kümmel, Stephan ; Leppert, Linn:
Delocalized electronic excitations and their role in directional charge transfer in the reaction center of Rhodobacter sphaeroides.
In: The Journal of Chemical Physics. Bd. 158 (2023) Heft 19 . - 195102.
ISSN 0021-9606
DOI: https://doi.org/10.1063/5.0139691

Biega, Raisa-Ioana ; Bokdam, Menno ; Herrmann, Kai ; Mohanraj, John ; Skrybeck, Dominik ; Thelakkat, Mukundan ; Retsch, Markus ; Leppert, Linn:
Dynamic Distortions of Quasi-2D Ruddlesden-Popper Perovskites at Elevated Temperatures : Influence on Thermal and Electronic Properties.
In: The Journal of Physical Chemistry C. Bd. 127 (2023) Heft 19 . - S. 9183-9195.
ISSN 1932-7455
DOI: https://doi.org/10.1021/acs.jpcc.3c01634

Lebeda, Timo ; Aschebrock, Thilo ; Sun, Jianwei ; Leppert, Linn ; Kümmel, Stephan:
Right band gaps for the right reason at low computational cost with a meta-GGA.
In: Physical Review Materials. Bd. 7 (2023) Heft 9 . - 093803.
ISSN 2475-9953
DOI: https://doi.org/10.1103/PhysRevMaterials.7.093803

2021

Hammon, Sebastian ; Leppert, Linn ; Kümmel, Stephan:
Magnetic moment quenching in small Pd clusters in solution.
In: The European Physical Journal D. Bd. 75 (2021) Heft 12 . - 309.
ISSN 1434-6079
DOI: https://doi.org/10.1140/epjd/s10053-021-00322-1

2015

Leppert, Linn ; Kempe, Rhett ; Kümmel, Stephan:
Hydrogen binding energies and electronic structure of Ni–Pd particles : a clue to their special catalytic properties.
In: Physical Chemistry Chemical Physics. Bd. 17 (2015) Heft 39 . - S. 26140-26148.
ISSN 1463-9084
DOI: https://doi.org/10.1039/C5CP04174K

Vlček, Vojtěch ; Steinle-Neumann, Gerd ; Leppert, Linn ; Armiento, Rickard ; Kümmel, Stephan:
Improved ground-state electronic structure and optical dielectric constants with a semilocal exchange functional.
In: Physical Review B. Bd. 91 (2015) Heft 3 . - 035107.
ISSN 0163-1829
DOI: https://doi.org/10.1103/PhysRevB.91.035107

Cherepanov, Pavel ; Melnyk, Inga ; Skorb, Ekaterina V. ; Fratzl, P. ; Zolotoyabko, E. ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid ; Avadhut, Yamini S. ; Senker, Jürgen ; Leppert, Linn ; Kümmel, Stephan ; Andreeva, Daria V.:
The use of ultrasonic cavitation for near-surface structuring of robust and low-cost AlNi catalysts for hydrogen production.
In: Green Chemistry. Bd. 17 (2015) Heft 5 . - S. 2745-2749.
ISSN 1463-9262
DOI: https://doi.org/10.1039/c5gc00047e

2013

Zamudio-Bayer, V. ; Leppert, Linn ; Hirsch, K. ; Langenberg, A. ; Rittmann, J. ; Kossick, M. ; Vogel, M. ; Richter, R. ; Terasaki, A. ; Möller, T. ; v. Issendorff, B. ; Kümmel, Stephan ; Lau, J. T.:
Coordination-driven magnetic-to-nonmagnetic transition in manganese-doped silicon clusters.
In: Physical Review B. Bd. 88 (2013) Heft 11 . - 115425.
ISSN 0163-1829
DOI: https://doi.org/10.1103/PhysRevB.88.115425

Leppert, Linn ; Albuquerque, Rodrigo Q. ; Foster, A. S. ; Kümmel, Stephan:
Interplay of Electronic Structure and Atomic Mobility in Nanoalloys of Au and Pt.
In: The Journal of Physical Chemistry C. Bd. 117 (2013) Heft 33 . - S. 17268-17273.
ISSN 1932-7455
DOI: https://doi.org/10.1021/jp404341v

Leppert, Linn:
Structural and electronic properties of transition metal nanoalloys and magnetic compounds.
Bayreuth , 2013
( Dissertation, 2013 , Universität Bayreuth, Bayreuther Graduiertenschule für Mathematik und Naturwissenschaften - BayNAT)

2012

Kaiser, Julian ; Leppert, Linn ; Welz, Hannes ; Polzer, Frank ; Wunder, Stefanie ; Wanderka, Nelia ; Albrecht, Martin ; Lunkenbein, Thomas ; Breu, Josef ; Kümmel, Stephan ; Lu, Yan ; Ballauff, Matthias:
Catalytic activity of nanoalloys from gold and palladium.
In: Physical Chemistry Chemical Physics. Bd. 14 (2012) Heft 18 . - S. 6487-6495.
ISSN 1463-9084
DOI: https://doi.org/10.1039/C2CP23974D

Leppert, Linn ; Albuquerque, Rodrigo Q. ; Kümmel, Stephan:
Gold-platinum alloys and Vegard's law on the nanoscale.
In: Physical Review B. Bd. 86 (2012) Heft 24 . - 241403(R).
ISSN 0163-1829
DOI: https://doi.org/10.1103/PhysRevB.86.241403

2011

Leppert, Linn ; Kümmel, Stephan:
The Electronic Structure of Gold−Platinum Nanoparticles : Collecting Clues for Why They Are Special.
In: The Journal of Physical Chemistry C. Bd. 115 (2011) Heft 14 . - S. 6694-6702.
ISSN 1932-7455
DOI: https://doi.org/10.1021/jp112224t