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Wadnerkar, Nitin
Preferred name
Wadnerkar, Nitin
Official Name
Wadnerkar, Nitin
Research Output
Now showing 1 - 2 of 2
- PublicationThe influence of Ti and Si doping on the structure, morphology and photo-response properties of α-Fe2O3 for efficient water splitting: experiment and first-principle calculations(Elsevier, 2014-01-30)
; ; ; Ti- and Si- doping effects on morphology, structure, optical and photo-response of α-Fe2O3 nanoscale coatings from atmospheric-pressure chemical vapour deposition (APCVD) have been studied. Si- and Ti-doping led to larger clusters with finer grains and smaller clusters with larger grains, respectively. Photocurrent performance was increased remarkably by doping, especially Si. Excellent agreement was found for band gaps and optical properties compared to hybrid-Density Functional Theory. Substitutional replacement of Fe by Si shrinks the volume more than Ti-doping; it is conjectured that this affects hopping probability of localised charge-carriers more and leads to enhanced photocurrent activity for Si-doping, supported by experiment.Scopus© Citations 19 632 - PublicationPhoto-active and optical properties of bismuth ferrite (BiFeO3): an experimental and theoretical studyAn experimental and a hybrid density functional theory study of the photo-active and optical properties of bismuth ferrite are presented. Phase-pure photo-catalytically active BFO was prepared experimentally with a 28% degradation of methyl orange observed over a 7- hour period. Direct and indirect band gaps were measured to be 2.10 and 1.92 eV, respectively. BFO was also studied computationally with the use of hybrid density functional theory, quite suitable for such a multiferroelectric material. This led to excellent, semiquantitative agreement between hybrid DFT and experimental approaches for absorption coefficients.
Scopus© Citations 71 2497