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. 2016 Oct 26;24(2):1553–1564. doi: 10.1007/s11356-016-7932-2

Table 1.

Summary of physical–chemical characteristics of materials used in this study as reported by manufacturer and measured using XRD and SAXS (details in Supplementary Material)

Sample ID Reported by manufacturer XRD and SAXS results
Particle size SSA (m2/g) Density (g/cm3) Rietveld analysis (%) Diameter (nm) by SAXS Scherrer diametera (nm) Calc. SSAb (m2/g)
Nano-ZnO50 nm <50 nm >10.8 5.61 36 33 32.4
Nano-ZnO100 nm <100 nm 15–25 5.61 48 22.3
Bulk-ZnO Not reported 5.61 85 12.6
Nano-Zn metal <50 nmc 35–50 7.133
Bulk-Zn metal ∼100 mesh
Nano-rutile (TiO2) <100 nm 50 4.17 98 % rutile 80 18.0
2 % anatase 81
Bulk-rutile (TiO2) <5 μm 4.17 97 % rutile 123 11.7
3 % anatase 99
Nano-anatase (TiO2) <25 nm 45–55 3.9 100 % anatase 10 7 154
Bulk-anatase (TiO2) Not reported 3.9 100 % anatase 68 22.6
NIST 1898 (TiO2) 37 ± 6 nm (rutile) 55.55 ± 0.70 13 % rutile 29 35 41.1
(24 % rutile and 76 % anatase) 19 ± 2 nm (anatase) 87 % anatase 19 81.0

aGreater uncertainty outside optimum range for Scherrer (1–65 nm, potentially extending to 100 nm)

bCalculated specific surface area assuming spherical particles of uniform size: SSA = 6/ρ/d (d = Scherrer diameter; ρ = density)

cManufacturer note that after sonication the material is disagglomerated into its primary nanoparticles of about 35 nm