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cond-mat.mtrl-sci2022★ 2 cited
Structure and optical properties of polymeric carbon nitrides from atomistic simulations
Changbin Im, Björn Kirchhoff, Igor Krivtsov +3
Detailed understanding of the structural and photophysical properties of polymeric carbon nitride (PCN) materials is of critical importance to derive future material optimization s…
physics.chem-ph2022
Simulations of the Electrochemical Oxidation of Pt Nanoparticles of Various Shapes
Björn Kirchhoff, Christoph Jung, Hannes Jónsson +2
The activity and stability of a platinum nanoparticle (NP) is not only affected by its size but additionally depends on its shape. To this end, simulations can identify structure-p…