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Published in 2021 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2021.148948
Abstract: Abstract The metastable hexagonal-diamond phase of Si and Ge (and of SiGe alloys) displays superior optical properties with respect to the cubic-diamond one. Based on first-principle calculations we show that the surface energy of the…
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Keywords:
hexagonal diamond;
force formation;
thermodynamic driving;
diamond ... See more keywords
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Published in 2020 at "Materials horizons"
DOI: 10.1039/c9mh01999e
Abstract: MgCr2S4 thiospinel is predicted to be a compelling Mg-cathode material, but its preparation via traditional solid-state synthesis methods has proven challenging. Wustrow et al. [Inorg. Chem., 2018, 57, 14] found that the formation of MgCr2S4…
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Keywords:
thermodynamic driving;
metathesis reaction;
mgcr2s4;
synthesis ... See more keywords
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Published in 2018 at "PLoS Computational Biology"
DOI: 10.1371/journal.pcbi.1006492
Abstract: Constraint-based modeling techniques have become a standard tool for the in silico analysis of metabolic networks. To further improve their accuracy, recent methodological developments focused on integration of thermodynamic information in metabolic models to assess…
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Keywords:
thermodynamic driving;
escherichia coli;
co2 fixation;
co2 ... See more keywords