Browsing Fakultet for naturvitenskap (NV) by Journals "The Journal of Physical Chemistry Letters"
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Crystal Structure Influences Migration along Li and Mg Surfaces
(Peer reviewed; Journal article, 2020)Dendrite formation on Li metal anodes hinders commercialization of more energy-dense rechargeable batteries. Here, we use the migration energy barrier (MEB) for surface transport as a descriptor for dendrite nucleation and ... -
Quantum Confinement Effects on Solvatochromic Shifts of Molecular Solutes
(Journal article; Peer reviewed, 2019)We demonstrate the pivotal role of quantum mechanics density confinement effects on solvatochromic shifts. In particular, by resorting to a quantum mechanics/molecular mechanics (QM/MM) approach capable of accounting for ...