14 citations · 16 across the 7 of their papers we have counts for
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Full ab initio atomistic approach for morphology prediction of hetero-integrated crystals: A confrontation with experiments
Sreejith Pallikkara Chandrasekharan, Sofia Apergi, Chen Wei +6
Here, we propose a comprehensive first-principle atomistic approach to predict the Wulff-Kaischew equilibrium shape of crystals heterogeneously integrated on a dissimilar material.…
Efficient absolute interface energy calculations for heterostructures: Synergy between localized basis sets and surface passivation techniques
Sreejith Pallikkara Chandrasekharan, Sofia Apergi, Charles Cornet +1
Heterostructures combining diverse physico-chemical properties are increasingly in demand for a wide range of applications in modern science and technology. However, despite their…
Computational assessment of non-polar and polar GaP terminations for photoelectrochemical water splitting
Sofia Apergi, Sreejith Pallikkara Chandrasekharan, Charles Cornet +1
With photoelectrochemical water splitting being one of the most promising approaches for clean energy production and storage, the search for efficient photoelectrode materials is g…