Prediction of crystalline Ta4O9 phase using first principles-based cluster expansion calculations
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DOI: 10.1063/5.0027018
Abstract: Tantalum is the only element of Group 5 in the periodic table that lacks any experimental reports on the existence of reduced crystalline oxide between the pentoxide (Ta2O5) and the dioxide (TaO2). We computationally predict… read more here.
Keywords: ta4o9; based cluster; ta2o5; prediction crystalline ... See more keywords