Inorganic chemistry
Site-Selective Doping and Rational Band Engineering through Coupled Structural, Electronic, and Orbital Analysis in Multi-Site Oxides.
Weihua Li, Guangxiang Lu, Pengfei Jiang, Rihong Cong, Tao Yang
Published: 202510.1021/acs.inorgchem.5c04447
Abstract
Site-selective doping in structurally complex oxides remains challenging due to multiple inequivalent cation sites and distinct coordination environments. Here, we present a strategy that couples advanced structural characterization, DFT calculations…
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