Publications by authors named "Pascal Henkel"

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Probing weak chemical interactions of metal surface atoms with CO-terminated AFM tips identifies molecular adsorption sites.
Jalmar Tschakert, Qigang Zhong, Alexander Sekels, Pascal Henkel, Jannis Jung

Nat Commun· August 2025

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Correction to "Screening Mixed-Metal SnM(III)ChX Chalcohalides for Photovoltaic Applications".
Pascal Henkel, Jingrui Li, G Krishnamurthy Grandhi, Paola Vivo, Patrick Rinke

Chem Mater· November 2023

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Bonding character of intermediates in on-surface Ullmann reactions revealed with energy decomposition analysis.
Jan-Niclas Luy, Pascal Henkel, Daniel Grigjanis, Jannis Jung, Doreen Mollenhauer

J Comput Chem· January 2023

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Temperature-dependent Li vacancy diffusion in LiTiO by means of first principles molecular dynamic simulations.
Pascal Henkel, Stefan Zahn, Janine Lorenz, Timo Jacob, Jürgen Janek

Phys Chem Chem Phys· March 2022

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Influence of the PON structural units on the formation energies and transport properties of lithium phosphorus oxynitride: a DFT study.
Pascal Henkel, Jürgen Janek, Doreen Mollenhauer

Phys Chem Chem Phys· October 2021

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Uncertainty of exchange-correlation functionals in density functional theory calculations for lithium-based solid electrolytes on the case study of lithium phosphorus oxynitride.
Pascal Henkel, Doreen Mollenhauer

J Comput Chem· July 2021

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Surface-controlled reversal of the selectivity of halogen bonds.
Jalmar Tschakert, Qigang Zhong, Daniel Martin-Jimenez, Jaime Carracedo-Cosme, Carlos Romero-Muñiz, Pascal Henkel

Nat Commun· November 2020

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Adsorption Structure of Mono- and Diradicals on a Cu(111) Surface: Chemoselective Dehalogenation of 4-Bromo-3″-iodo- p-terphenyl.
Daniel Ebeling, Qigang Zhong, Tobias Schlöder, Jalmar Tschakert, Pascal Henkel

ACS Nano· January 2019

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