Integrating these findings with first-principles calculations reveals that neither nickelates nor cuprates exhibit a state close to this optimum within the context of a single-band description. find more In contrast, we identify notable palladates, including RbSr2PdO3 and A'2PdO2Cl2 (A' = Ba...
The results are presented in Table 4, which shows that the CT values obtained from the calculations were very close to the TOC-measured CT (an average difference of 0.4% and STDV of 2.8%). Such deviations in the CT concentration can be expected to yield only a small error in the ...