Konu "First-Principles Calculations" için Makale Koleksiyonu listeleme
Toplam kayıt 2, listelenen: 1-2
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Achieving Fast Kinetics and Enhanced Li Storage Capacity for Ti3C2O2 by Intercalation of Quinone Molecules
(American Chemical Society, 2019)Using first-principles calculations, we demonstrated that high lithium storage capacity and fast kinetics are achieved for Ti3C2O2 by preintercalating organic molecules. As a proof-of-concept, two different quinone molecules, ... -
In pursuit of barrierless transition metal dichalcogenides lateral heterojunctions
(IOP Publishing LTD, 2018)There is an increasing need to understand interfaces between two-dimensional materials to realize an energy efficient boundary with low contact resistance and small heat dissipation. In this respect, we investigated the ...