In:
Angewandte Chemie, Wiley, Vol. 131, No. 46 ( 2019-11-11), p. 16813-16820
Abstract:
An N‐doped TiO 2 model reveals a conceptually different mechanism for activating the N dopant based on delocalized orbital hybridization through O vacancy incorporation. Synchrotron‐based X‐ray absorption spectroscopy, time‐resolved fluorescence, and DFT studies revealed that O vacancy incorporation can effectively stimulate the delocalization of N impurity states through p‐band orbital modulation, which leads to a significant enhancement in photocarrier lifetime. Consequently, this effect also results in a remarkable increase in the incident photon‐to‐electron conversion efficiency in the range of 400–550 nm compared to that of conventional N‐incorporated TiO 2 (15 % versus 1 % at 450 nm). This work reveals the fundamental necessity of orbital modulation in the band engineering of metal oxides for driving solar water splitting and beyond.
Type of Medium:
Online Resource
ISSN:
0044-8249
,
1521-3757
DOI:
10.1002/ange.v131.46
DOI:
10.1002/ange.201909934
Language:
English
Publisher:
Wiley
Publication Date:
2019
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