Electrochimica Acta, Vol.132, 307-314, 2014
Theoretical calculation and experimental study on the conductivity and stability of Bi-doped SnO2 electrode
this study, Ti/SnO2-Sb2O4-Bi2O3/PbO2 anodes are prepared by electrodeposition method, and formation energy and band structure are analysed using first-principles calculations. The phase structure and valence states of the electrode are analysed using X-ray diffraction and X-ray photoelectron spectroscopy, respectively. Furthermore, the accelerated service life of the electrode is evaluated to be 4 A cm(-2). The results show that the lattice parameters of Bi-doped SnO2 system increase approximately linearly with increasing Bi doping concentration. For the Bi-doped SnO2 system, the minimum value of formation energy is -10.28 eV, and the most stable structure is obtained when the Bi doping ratio is 0.0625. The formation energy gradually increases and the stability decreases with increasing doping ratio. Moreover, the conductivity of the anode reaches the maximum value and the accelerated service life increases up to 52 h when the doping ratio is 0.0625. On the basis of our experiment and theoretical calculations, the Bi-doped SnO2 electrode is shown to be a good acid-proof anode. (C) 2014 Elsevier Ltd. All rights reserved.
Keywords:first-principles calculations;conductivity and stability properties;formation energy;accelerated service life