Universität zu Köln

Choi, Heechae ORCID: 0000-0002-9390-6607, Han, HyukSu, Moon, Seong-, I, Je, Minyeong, Lee, Seungwoo, Kwon, Jiseok, Kim, Seungchul, Lee, Kwang-Ryeol, Ali, Ghulam ORCID: 0000-0003-2815-6667, Mathur, Sanjay, Paik, Ungyu, Qiao, Shi-Zhang and Song, Taeseup (2022). Strategy to utilize amorphous phase of semiconductor toward excellent and reliable photochemical water splitting performance: Roles of interface dipole moment and reaction parallelization. Int. J. Energy Res., 46 (3). S. 3674 - 3686. HOBOKEN: WILEY. ISSN 1099-114X

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Abstract

The roles of amorphous phases in photochemical water splitting of semiconductors are still in debate, as the effects of the amorphous phase are largely irregular even in a single material. We presumed that the photochemistry of crystal-amorphous mixed semiconductor systems would be governed by the interface characteristics, and conducted a systematic study to understand the origins of the largely varying photochemical reaction of semiconductors having an amorphous phase. First-principles calculations on crystalline anatase and amorphous TiO2 showed that the coexistence of crystalline and amorphous TiO2 and the exposure of the phase boundary are advantageous due to the accelerated charge separation by interface dipole moment and the parallelizable oxygen evolution reaction at the boundary. Our computation-based strategies were demonstrated in our experiments: only the TiO2 nanoparticle and nanotube having partial amorphization on surfaces have highly enhanced photocatalytic water splitting performances (approximately 700%) compared to the pristine and completely amorphized TiO2 systems.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Choi, Heechae UNSPECIFIED orcid.org/0000-0002-9390-6607 UNSPECIFIED Han, HyukSu UNSPECIFIED UNSPECIFIED UNSPECIFIED Moon, Seong-, I UNSPECIFIED UNSPECIFIED UNSPECIFIED Je, Minyeong UNSPECIFIED UNSPECIFIED UNSPECIFIED Lee, Seungwoo UNSPECIFIED UNSPECIFIED UNSPECIFIED Kwon, Jiseok UNSPECIFIED UNSPECIFIED UNSPECIFIED Kim, Seungchul UNSPECIFIED UNSPECIFIED UNSPECIFIED Lee, Kwang-Ryeol UNSPECIFIED UNSPECIFIED UNSPECIFIED Ali, Ghulam UNSPECIFIED orcid.org/0000-0003-2815-6667 UNSPECIFIED Mathur, Sanjay UNSPECIFIED UNSPECIFIED UNSPECIFIED Paik, Ungyu UNSPECIFIED UNSPECIFIED UNSPECIFIED Qiao, Shi-Zhang UNSPECIFIED UNSPECIFIED UNSPECIFIED Song, Taeseup UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-594225
DOI:	10.1002/er.7333
Journal or Publication Title:	Int. J. Energy Res.
Volume:	46
Number:	3
Page Range:	S. 3674 - 3686
Date:	2022
Publisher:	WILEY
Place of Publication:	HOBOKEN
ISSN:	1099-114X
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language GENERALIZED GRADIENT APPROXIMATION; BLACK TIO2; INDUCED AMORPHIZATION; ELECTRIC-FIELD; PHOTOCATALYSIS; FABRICATION; ABSORPTION; ACTIVATION; DYNAMICS; OXYGEN Multiple languages Energy & Fuels; Nuclear Science & Technology Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/59422