2018/06/05 by Misha Sinder, Sinder, Misha, Z. Burshtein +3
Chemical Engineering · Engineering · Materials Science · #Advancements in Solid Oxide Fuel Cells #Catalysis and Oxidation Reactions #Electronic and Structural Properties of Oxides #FOS: Physical sciences #Magnetic and transport properties of perovskites and related materials #Materials Science (cond-mat.mtrl-sci) #Metallurgical Processes and Thermodynamics
paper · pdf · doi:10.48550/arxiv.1806.01687
openalex publication_date 2018/06/05 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
We present a theoretical study of the impact of oxygen diffusion in oxide\ncrystals on metal dopants ionic state and the conduction type under thermal\nequilibrium. Oxygen vacancy formation acting as a shallow, double-electronic\ndonor is assumed to result from the crystal exposure to a low ambient oxygen\npressure. It is shown, that critical transitions from n- to a p-type at an\noxygen partial pressure Pi, and in ionization state of the metal dopant at an\noxygen partial pressure PM, are usually not simultaneous, and depend on the\ndifferent reaction constants. Experimental study of the different species\nconcentrations at thermodynamic equilibrium as functions of pressure and\ntemperature should allow assessment of various reversible reaction constants\ncontrolling the process. In the Part II companion paper, the kinetic\n(diffusion) characteristics are considered in detail.\n