Mediating both valence and conduction bands of TiO2 by anionic dopants for visible- and infrared-light photocatalysis

Literature Information

Publication Date 2018-04-04
DOI 10.1039/C8CP00895G
Impact Factor 3.676
Authors

Tingwei Chen, Guokui Liu, Fan Jin, Min Wei, Jin Feng, Yuchen Ma


View Original

Abstract

Doping is an effective way to extend the optical absorption of TiO2 to the visible range. Doping of TiO2 by carbon has been found to enhance the water splitting efficiency significantly in experiment. However, the mechanism behind this is elusive. Using the ab initio many-body Green's function theory, we find that the C2 dimer formed on the TiO2 surface produces a shallow delocalized occupied Ti 3d state just below the bottom of the conduction bands. Therefore, band-gap narrowing in carbon-doped TiO2 is caused by the opposite shifts of both valence and conduction bands simultaneously, which is in contrast to the generally accepted idea that anionic dopants can only affect the valence band of TiO2. Optical absorption in the infrared region is also increased compared to reduced TiO2. The spatially well-separated photogenerated electrons and holes might help to reduce the recombination rate of carriers, in favor of improvement in photocatalysis efficiency. This novel behavior of anionic dopants is distinct from previous understandings and may guide the engineering of TiO2.

Related Literature

An efficient heteropolyacid catalyzed acylation of pyruvate esters to α-acyloxyacrylate esters as potential candidate monomers for bio-based polymers

Masahiro Sadakane, Shinji Matsuoka, Hiroki Nakamura, Hiroyuki Naitou, Wataru Ueda

2008-09-12 Communication

DOI: 10.1039/B809940E

A novel type of N-formylation and related reactions of aminesviacyanides and esters as formylating agents

Kai Bao, Weige Zhang, Xiujuan Bu, Zhichun Song, Liang Zhang, Maosheng Cheng

2008-09-16 Communication

DOI: 10.1039/B810086A

Dynamic surface rearrangement and thermal stability of nitrogen functional groups on carbon nanotubes

Rosa Arrigo, Michael Hävecker, Robert Schlögl, Dang Sheng Su

2008-09-11 Communication

DOI: 10.1039/B812769G

Phosphine-catalyzed annulation of ethyl (arylimino)acetates: synthesis of highly functionalized oxoimidazolidines

Guang-Ning Ma, Fei-Jun Wang, Jun Gao

2008-09-18 Communication

DOI: 10.1039/B811167G

Fabrication of mechanically improved hydrogels using a movable cross-linker based on vinyl modified polyrotaxane

Abu Bin Imran, Takahiro Seki, Toshiyuki Kataoka, Masatoshi Kidowaki, Kohzo Ito, Yukikazu Takeoka

2008-09-12 Communication

DOI: 10.1039/B810290B

Detoxification system for inorganic arsenic: transformation of As2O3 into TMAO by vitamin B12 derivatives and conversion of TMAO into arsenobetaine

Koichiro Nakamura, Yoshio Hisaeda, Ling Pan, Hiroshi Yamauchi

2008-09-25 Communication

DOI: 10.1039/B808937J

Hydration of counterions in cation exchange resins studied by X-ray absorption fine structure

Makoto Harada, Tetsuo Okada

2008-09-10 Communication

DOI: 10.1039/B810997D

One-step fabrication of well-defined hollow CdS nanoboxes

Mee Rahn Kim, Du-Jeon Jang

2008-09-12 Communication

DOI: 10.1039/B809807G

Surface-enhanced stereoselectivity in Mukaiyama aldol reactions catalyzed by clay-supported bis(oxazoline)–copper complexes

María J. Fabra, José M. Fraile, Clara I. Herrerías, Fernando J. Lahoz, José A. Mayoral, Ignacio Pérez

2008-09-19 Communication

DOI: 10.1039/B809956A

Self-organization of a new fluorous porphyrin and C60 films on indium-tin-oxide electrode

Alessandro Varotto, Louis Todaro, Mikki Vinodu, Gang-yu Liu

2008-09-19 Communication

DOI: 10.1039/B806795C

You might also like

155412-88-71-(3-Aminophenyl)-3-...
Compound Q&A

How should waste containing 1-(D-Ribofuranosyl)-1,4-dihydro-3-pyridinecarboxamide (CAS: 19132-12-8) be handled?

Waste containing 1-(D-Ribofuranosyl)-1,4-dihydro-3-pyridinecarboxamide (CAS: 191...

19132-12-81-(D-Ribofuranosyl)-...
Compound Q&A

What regulatory guidelines apply to 2-Methyl-2-propanyl 3-bromo-3-(hydroxymethyl)-1-azetidinecarboxylate (CAS: 2007919-81-3)?

2-Methyl-2-propanyl 3-bromo-3-(hydroxymethyl)-1-azetidinecarboxylate (CAS: 20079...

2007919-81-32-Methyl-2-propanyl ...
Compound Q&A

What is N-(4-Chloro-2-pyridinyl)acetamide (CAS: 245056-66-0)?

N-(4-Chloro-2-pyridinyl)acetamide (CAS: 245056-66-0) is a chemical compound with...

245056-66-0N-(4-Chloro-2-pyridi...
Compound Q&A

What is 5-Chloro-2-hydroxybenzoic acid (CAS: 321-14-2)?

5-Chloro-2-hydroxybenzoic acid, also known as 5-chlorosalicylic acid, is an arom...

321-14-25-Chloro-2-hydroxybe...
Compound Q&A

What precautions should be taken when handling 1,1-Dichloro-1-fluoroethane (CAS: 1717-00-6)?

When handling 1,1-Dichloro-1-fluoroethane (CAS: 1717-00-6), it is important to u...

1717-00-61,1-Dichloro-1-fluor...
Compound Q&A

What are the physical and chemical properties of Fmoc-(2S,3R)-3-phenylpyrrolidine-2-carboxylic acid (CAS: 281655-32-1)?

Fmoc-(2S,3R)-3-phenylpyrrolidine-2-carboxylic acid is a white crystalline solid ...

281655-32-1Fmoc-(2S,3R)-3-pheny...
Compound Q&A

What are the main uses of 4-Amino-5-bromo-2-pyridinecarboxylic acid (CAS: 1363381-01-4)?

4-Amino-5-bromo-2-pyridinecarboxylic acid is primarily used as a precursor in th...

1363381-01-44-Amino-5-bromo-2-py...
1007881-98-2(S)-tert-butyl 2-((2...
Compound Q&A

What precautions should be taken when handling 8-bromo-2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one (CAS: 688363-73-7)?

When handling 8-bromo-2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one, use prop...

688363-73-78-bromo-2,2-dimethyl...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.