A DFT study to determine the structure and composition of ε-W2B5−x
Samaneh Sadat Setayandeh, E.G. Obbard, Jennifer H. Stansby, D. J. Frost, Jack Astbury, C.L. Wilson, Patrick A. Burr
Topics & Concepts
Convex hullStoichiometryMetastabilityChemistryDensity functional theoryAb initioCrystallographyComposition (language)Neutron diffractionCrystal structureVacancy defectPhase (matter)Materials scienceComputational chemistryRegular polygonPhysical chemistryMathematicsGeometryLinguisticsPhilosophyOrganic chemistryBoron and Carbon Nanomaterials ResearchAdvanced materials and compositesMetal and Thin Film Mechanics