The extrinsic nature of double broadband photoluminescence from the BaTiO3 perovskite: generation of white light emitters

Literature Information

Publication Date 2021-07-26
DOI 10.1039/D1CP01765A
Impact Factor 3.676
Authors

J. L. Clabel H., G. Nicolodelli, G. Lozano C., V. A. G. Rivera, S. O. Ferreira, Alexandre H. Pinto, M. Siu Li, E. Marega, Jr.


View Original

Abstract

The electronic properties of BaTiO3 perovskite oxides are not completely understood, despite their excellent electro-optical performance and potential for light generation. Particularly, when there is multiple peak formation in the photoluminescence spectra, their origins are not discussed. Their luminescence spectra reveal an unexpected thermodynamic relationship between the core excitonic states and the surface of the BaTiO3. These results give a broad insight into the origins of the emission properties of perovskite oxides. The self-trapped excitons contribution to the broadbands highlights their extrinsic origin. Through spectroscopy techniques and parallel factor analysis (PARAFAC) modeling, we demonstrate that additional broadbands are sensitive to extrinsic defects, type ν-CH3, a product of decomposition of 2-propanol. The presence of C–H bonds shows the dependence with the calcination temperature and the increase of the lattice expansion coefficient until 4.7 × 10−6 K−1 resulting in the contribution to the change of band gap with the temperature ((dEg/dT)P). In this work, we correlated the electronic properties of BaTiO3 with intrinsic and extrinsic defects and elucidated the presence of additional broadbands. This approach differentiates the contributions of excitonic states and surfaces, which is necessary to understand the electronic properties of perovskite oxides.

Related Literature

First principles calculations on lithium diffusion near the surface and in the bulk of Fe-doped LiCoPO4

Kuan-Ching Wu, Chieh-Ming Hsieh, Bor Kae Chang

2021-12-07 Paper

DOI: 10.1039/D1CP04517B

Adsorption of water in Na-LTA zeolites: an ab initio molecular dynamics investigation

Joharimanitra Randrianandraina, Michael Badawi, Bruno Cardey, Manuel Grivet, Jean-Emmanuel Groetz, Christophe Ramseyer, Freddy Torrealba Anzola, Caroline Chambelland, Didier Ducret

2021-08-06 Paper

DOI: 10.1039/D1CP02624K

Back cover

2021-09-15 Cover

DOI: 10.1039/D1CP90186A

Theoretical study and application of 2-phenyl-1,3,4-thiadiazole derivatives with optical and inhibitory activity against SHP1

Chun Zhang, Yi-Tao Sun, Xue Yan, Xue-Hui Guo, Ai-Min Ren, Wen-Long Wang

2021-12-02 Paper

DOI: 10.1039/D1CP04268H

Inside front cover

2021-09-01 Cover

DOI: 10.1039/D1CP90175C

Adsorption of the amyloid β40 monomer on charged gold nanoparticles and slabs: a molecular dynamics study

Pandurangan Kalipillai, Ethayaraja Mani

2021-08-02 Paper

DOI: 10.1039/D1CP01652K

UVPD spectroscopy of differential mobility-selected prototropic isomers of protonated adenine

Mircea Guna, Bradley B. Schneider, J. C. Yves Le Blanc, Marcel Nooijen

2021-08-30 Paper

DOI: 10.1039/D1CP02688G

Effect of solvent motions on the dynamics of the Diels–Alder reaction

Xiaoyong Zhang, Jeremy N. Harvey

2021-12-13 Paper

DOI: 10.1039/D1CP05272A

You might also like

Compound Q&A

What are the main uses of 4-Nitrophenyl phosphate disodium salt hexahydrate (CAS: 333338-18-4)?

4-Nitrophenyl phosphate disodium salt hexahydrate is primarily used as a substra...

333338-18-44-Nitrophenyl phosph...
Compound Q&A

What are the main uses of 2-(Trifluoromethyl)-1,3-oxazole-4-carboxylic Acid (CAS: 1060816-01-4)?

2-(Trifluoromethyl)-1,3-oxazole-4-carboxylic Acid (CAS: 1060816-01-4) is widely ...

1060816-01-42-(Trifluoromethyl)-...
Compound Q&A

How should 2-Fluoro-4-biphenylcarboxylic acid (CAS: 137045-30-8) be stored?

2-Fluoro-4-biphenylcarboxylic acid should be stored in a cool, dry place at room...

137045-30-82-Fluoro-4-biphenylc...
Compound Q&A

What industries use Prednisolone-21-Carboxylic Acid (CAS: 61549-70-0)?

Prednisolone-21-Carboxylic Acid is primarily used in the pharmaceutical industry...

61549-70-0Prednisolone-21-Carb...
Compound Q&A

How should 4-(Hydrazinomethyl)-1,2,3-benzenetriol (CAS: 3614-72-0) be stored?

4-(Hydrazinomethyl)-1,2,3-benzenetriol (CAS: 3614-72-0) should be stored in a co...

3614-72-04-(Hydrazinomethyl)-...
Compound Q&A

What industries use 4-Amino-1-methyl-1H-pyrazole-5-carboxylic acid hydrochloride (CAS: 92534-70-8)?

4-Amino-1-methyl-1H-pyrazole-5-carboxylic acid hydrochloride (CAS: 92534-70-8) i...

92534-70-84-Amino-1-methyl-1H-...
Compound Q&A

What regulatory guidelines apply to dehydropachymic acid (CAS: 77012-31-8)?

Dehydropachymic acid (CAS: 77012-31-8) is regulated by various agencies. It fall...

77012-31-8Dehydropachymic acid
Compound Q&A

What is the market or research trend for 6-[(2,2-Dimethylpropanoyl)amino]nicotinic acid (CAS: 898561-66-5)?

The market and research trends for 6-[(2,2-Dimethylpropanoyl)amino]nicotinic aci...

898561-66-56-[(2,2-Dimethylprop...
Compound Q&A

How should 1,10-Phenanthroline-2,9-dicarbaldehyde (CAS: 57709-62-3) be stored?

1,10-Phenanthroline-2,9-dicarbaldehyde should be stored in a cool, dry place awa...

57709-62-31,10-Phenanthroline-...
Compound Q&A

How is 5-Carbamoyl-11-oxo-10,11-dihydro-5H-dibenzo[b,f]azepin-10-yl acetate (CAS: 113952-21-9) typically synthesized?

5-Carbamoyl-11-oxo-10,11-dihydro-5H-dibenzo[b,f]azepin-10-yl acetate can be synt...

113952-21-95-Carbamoyl-11-oxo-1...

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.