| XRD, YMO | Fully indexed to the hexagonal YMnO₃ structure, space group P6₃cm, JCPDS 25-1079 |
|---|---|
| XRD, Cr-YMO | Dominated by the hexagonal phase with a weak additional reflection near 2θ ≈ 26°; the (112) and neighboring reflections shifted monotonically to higher 2θ |
| Raman, YMO | Peaks at 127, 223, 367, 627, and 676 cm⁻¹ |
| Raman, Cr-YMO | Peaks at 134, 222, 402, 492, 623, and 680 cm⁻¹; the 367 cm⁻¹ YMO peak shifted to 402 cm⁻¹ |
| XPS, O 1s | The lattice-oxygen fraction increased from 35 % in YMO to ~61 % in Cr-YMO; the surface-/defect-associated-oxygen to lattice-oxygen intensity ratio decreased from 1.88 to 0.65 |
| XPS, Mn 2p | The Mn²⁺/Mn³⁺ ratio increased from 0.44 to 0.94 and the Mn⁴⁺/Mn³⁺ ratio decreased from 0.71 to 0.47 after Cr incorporation |
| TEM | Characteristic particle sizes were approximately 420–570 nm for YMO and 55–110 nm for Cr-YMO |
| SAED | Both patterns were indexed predominantly to hexagonal YMnO₃, space group P6₃cm |
| HRTEM, YMO | Interplanar spacings 0.57 nm (002) and 0.39 nm (102) |
| HRTEM, Cr-YMO | Interplanar spacings 0.57 nm (002) and 0.31 nm (110) |
| STEM–EDS, Cr-YMO | Y, Mn, O, and Cr were uniformly distributed within the analyzed region |
| ¹⁸O isotope-labeling TOF-SIMS | Peak near-surface ¹⁸O fraction 4.45 % for Cr-YMO and 2.49 % for YMO; integrated fraction for t < 200 s 2.54 % and 1.47 %, respectively; peak raw ¹⁸O intensity 3,671 and 171 counts, respectively |
P. K. Sharma, Rajesh Thakur, Samit Kumar Ray, Samik Mukherjee. “Coupled electronic and structural regulation enables stable lattice-oxygen evolution in hexagonal YMnO₃.” ChemRxiv (). https://doi.org/10.26434/chemrxiv.15007835/v1
Values presented only in XRD, Raman, XPS, electron-microscopy, electron-diffraction, EDS, electrochemical, or TOF-SIMS plots or images were not transcribed. The main paper refers to supporting information, but no separate supporting information file was available on the ChemRxiv article page