|Title:||Quantum-chemical prediction of the effects of Ni-loading on the hydrogenation and water-splitting efficiency of TiO2 nanoparticles with an experimental test|
Wang, T. T.
Lin, M. C.
Department of Applied Chemistry
|Keywords:||Ni catalysis;TiO2 nanoparticles;Hydrogenation;Water splitting;Quantum chemical calculations|
|Abstract:||The effects of Ni-loading on TiO2 nanoparticles can pronouncedly reduce the barriers for dissociation of H-2 from 48 kcal/mol on the pure TiO2 to as low as 1-3 kcal/mol on the loaded samples facilitating the hydrogenation of NPs. Preliminary data of our test indicate that the hydrogenation of Ni-loaded TiO2 NPs results in a significant UV-visible absorption extending well beyond 750 nm with an increase in water splitting efficiency by as much as 67 times over those of pure and hydrogenated TiO2 NPs without Ni-loading under our mild hydrogenation condition using 800 Torr of H-2 at 300 degrees C for 3 h. (C) 2016 Elsevier B.V. All rights reserved.|
|Journal:||CHEMICAL PHYSICS LETTERS|
|Appears in Collections:||Articles|