Polaron formation and transport in Bi 2 WO 6 studied by DFT+ U and hybrid PBE0 functional approaches
Junyan Tao, Qingyan Zhang, Taifeng Liu
Abstract
Junyan Tao, Qingyan Zhang, Taifeng Liu
Abstract
. This study provides insight for understanding polaron formation and transport in materials with W and Bi ions. It also provides understanding regarding charge separation and transport for materials with layered structures.
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. This study provides insight for understanding polaron formation and transport in materials with W and Bi ions. It also provides understanding regarding charge separation and transport for materials with layered structures.
Key concepts: Polaron, Electron, Charge (physics), Condensed matter physics, Hybrid functional, Physics, Chemical physics, Density functional theory