TY - JOUR
T1 - Excess electrons in reduced rutile and anatase TiO2
AU - Yin, Wen Jin
AU - Wen, Bo
AU - Zhou, Chuanyao
AU - Selloni, Annabella
AU - Liu, Li Min
N1 - Funding Information:
This work was supported by the Science Challenge Project ( TZ2018004 ) the National Natural Science Foundation of China (Nos. 51572016 , 11747167 and U1530401 ). This research is supported by a Tianhe-2JK computing time award at the Beijing Computational Science Research Center (CSRC) and the Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund (the second phase) under Grant No. U1501501 . C. Z. acknowledges the financial support from the National Natural Science Foundation of China ( 21573225 ), the National Key Research and Development Program of the MOST of China ( 2016YFA0200602 ) and the Youth Innovation Promotion Association of CAS ( 2017224 ). A.S. acknowledges support from DoE-BES, Division of Chemical Sciences, Geosciences and Biosciences, Award No. DE-SC0007347.
Funding Information:
This work was supported by the Science Challenge Project (TZ2018004) the National Natural Science Foundation of China (Nos. 51572016, 11747167 and U1530401). This research is supported by a Tianhe-2JK computing time award at the Beijing Computational Science Research Center (CSRC) and the Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund (the second phase) under Grant No. U1501501. C. Z. acknowledges the financial support from the National Natural Science Foundation of China (21573225), the National Key Research and Development Program of the MOST of China (2016YFA0200602) and the Youth Innovation Promotion Association of CAS (2017224). A.S. acknowledges support from DoE-BES, Division of Chemical Sciences, Geosciences and Biosciences, Award No. DE-SC0007347.
Publisher Copyright:
© 2018 Elsevier B.V.
PY - 2018/5
Y1 - 2018/5
N2 - As a prototypical photocatalyst, TiO2 is a material of scientific and technological interest. In photocatalysis and other applications, TiO2 is often reduced, behaving as an n-type semiconductor with unique physico-chemical properties. In this review, we summarize recent advances in the understanding of the fundamental properties and applications of excess electrons in reduced, undoped TiO2. We discuss the characteristics of excess electrons in the bulk and at the surface of rutile and anatase TiO2 focusing on their localization, spatial distribution, energy levels, and dynamical properties. We examine specific features of the electronic states for photoexcited TiO2, for intrinsic oxygen vacancy and Ti interstitial defects, and for surface hydroxyls. We discuss similarities and differences in the behaviors of excess electrons in the rutile and anatase phases. Finally, we consider the effect of excess electrons on the reactivity, focusing on the interaction between excess electrons and adsorbates.
AB - As a prototypical photocatalyst, TiO2 is a material of scientific and technological interest. In photocatalysis and other applications, TiO2 is often reduced, behaving as an n-type semiconductor with unique physico-chemical properties. In this review, we summarize recent advances in the understanding of the fundamental properties and applications of excess electrons in reduced, undoped TiO2. We discuss the characteristics of excess electrons in the bulk and at the surface of rutile and anatase TiO2 focusing on their localization, spatial distribution, energy levels, and dynamical properties. We examine specific features of the electronic states for photoexcited TiO2, for intrinsic oxygen vacancy and Ti interstitial defects, and for surface hydroxyls. We discuss similarities and differences in the behaviors of excess electrons in the rutile and anatase phases. Finally, we consider the effect of excess electrons on the reactivity, focusing on the interaction between excess electrons and adsorbates.
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U2 - 10.1016/j.surfrep.2018.02.003
DO - 10.1016/j.surfrep.2018.02.003
M3 - Review article
AN - SCOPUS:85044950275
SN - 0167-5729
VL - 73
SP - 58
EP - 82
JO - Surface Science Reports
JF - Surface Science Reports
IS - 2
ER -