Direct Identification of Antisite Cation Intermixing and Correlation with Electronic Conduction in CuBi<sub>2</sub>O<sub>4</sub> for Photocathodes
Hyun Joon Jung, Young-Hwan Lim, Byeong-Uk Choi, Hyung Bin Bae, WooChul Jung, Sangwoo Ryu, Jihun Oh, Sung‐Yoon Chung
Abstract
can seriously hinder the hole-polaron hopping between Cu, in agreement with lower conductivity and a larger thermal activation barrier under a higher degree of intermixing. These findings highlight the value of the direct identification of point defects for a better understanding of electronic properties in complex oxides.
Topics & Concepts
Materials sciencePolaronBand gapDensity functional theoryElectronic structureConduction bandThermal conductionChemical physicsCrystallographic defectConductivityOptoelectronicsNanotechnologyElectronCondensed matter physicsComputational chemistryPhysical chemistryChemistryPhysicsComposite materialQuantum mechanicsCopper-based nanomaterials and applicationsElectronic and Structural Properties of OxidesAdvanced Photocatalysis Techniques