Dissimilar anisotropy of electron versus hole bulk transport in anatase TiO2: Implications for photocatalysis

Donghun Kim, Byung Chul Yeo, Dongbin Shin, Heechae Choi, Seungchul Kim, Noejung Park, Sang Soo Han

Research output: Contribution to journalArticlepeer-review

23 Citations (Scopus)

Abstract

Recent studies on crystal facet manipulation of anatase TiO2 in photocatalysis have revealed that reduction and oxidation reactions preferably occur on (100)/(101) and (001) facets, respectively; however, a fundamental understanding of their origin is lacking. Here, as a result of first-principles calculations, we suggest that a dissimilar trend in the anisotropy of electron vs hole bulk transport in anatase TiO2 can be a dominant underlying mechanism for the difference in photochemical activity. Photoexcited electrons and holes are driven to different facets, i.e., electrons on (100)/(101) and holes on (001), leading to the observed preference for either reduction or oxidation. This trend of electrons vs holes found in pure TiO2 applies even for cases where a variety of dopants or defects is introduced.

Original languageEnglish
Article number045209
JournalPhysical Review B
Volume95
Issue number4
DOIs
Publication statusPublished - 19 Jan 2017
Externally publishedYes

Fingerprint

Dive into the research topics of 'Dissimilar anisotropy of electron versus hole bulk transport in anatase TiO2: Implications for photocatalysis'. Together they form a unique fingerprint.

Cite this