Insight of Diversified Reactivity and Theoretical Study of Mixed-Phase Titanium Dioxide for the Photoactivation of Small Molecules

Joshua O. Olowoyo; Norge Cruz Hernández; Manoj Kumar; Suman L. Jain; Jonathan O. Babalola; Umesh Kumar

doi:10.1002/slct.201800076

Insight of Diversified Reactivity and Theoretical Study of Mixed-Phase Titanium Dioxide for the Photoactivation of Small Molecules

Joshua O. Olowoyo, Norge Cruz Hernández, Manoj Kumar, Suman L. Jain, Jonathan O. Babalola, Umesh Kumar^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

12 Citations (Scopus)

Abstract

The mixed-phase titanium dioxide (TiO₂) nanoparticles were prepared by two different methods; sonothermal (S) and sonothermal followed by hydrothermal (SH). The TiO₂ prepared by SH has shown a superior hydrogen (H₂) generation via photocatalytic splitting of water (H₂O) and formic acid (FA) as well as photocatalytic reduction of carbon dioxide (CO₂) to methanol (MeOH). The H₂ production rate under UVA from H₂O and FA was 0.02 and 3.91 mmol g⁻¹ h⁻¹ respectively while MeOH formation rate was 1.97 mmol g⁻¹ h⁻¹ from CO₂. The DFT calculations of the reactants and products were also investigated.

Original language	English
Pages (from-to)	3659-3663
Number of pages	5
Journal	ChemistrySelect
Volume	3
Issue number	13
DOIs	https://doi.org/10.1002/slct.201800076
Publication status	Published - 9 Apr 2018
Externally published	Yes

Keywords

Adsorption energy
DFT Calculations
Photoactivation
Photocatalysis
TiO

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1002/slct.201800076

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title = "Insight of Diversified Reactivity and Theoretical Study of Mixed-Phase Titanium Dioxide for the Photoactivation of Small Molecules",

abstract = "The mixed-phase titanium dioxide (TiO2) nanoparticles were prepared by two different methods; sonothermal (S) and sonothermal followed by hydrothermal (SH). The TiO2 prepared by SH has shown a superior hydrogen (H2) generation via photocatalytic splitting of water (H2O) and formic acid (FA) as well as photocatalytic reduction of carbon dioxide (CO2) to methanol (MeOH). The H2 production rate under UVA from H2O and FA was 0.02 and 3.91 mmol g−1 h−1 respectively while MeOH formation rate was 1.97 mmol g−1 h−1 from CO2. The DFT calculations of the reactants and products were also investigated.",

keywords = "Adsorption energy, DFT Calculations, Photoactivation, Photocatalysis, TiO",

author = "Olowoyo, {Joshua O.} and Hern{\'a}ndez, {Norge Cruz} and Manoj Kumar and Jain, {Suman L.} and Babalola, {Jonathan O.} and Umesh Kumar",

note = "Publisher Copyright: {\textcopyright} 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim",

year = "2018",

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doi = "10.1002/slct.201800076",

language = "English",

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journal = "ChemistrySelect",

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T1 - Insight of Diversified Reactivity and Theoretical Study of Mixed-Phase Titanium Dioxide for the Photoactivation of Small Molecules

AU - Olowoyo, Joshua O.

AU - Hernández, Norge Cruz

AU - Kumar, Manoj

AU - Jain, Suman L.

AU - Babalola, Jonathan O.

AU - Kumar, Umesh

PY - 2018/4/9

Y1 - 2018/4/9

N2 - The mixed-phase titanium dioxide (TiO2) nanoparticles were prepared by two different methods; sonothermal (S) and sonothermal followed by hydrothermal (SH). The TiO2 prepared by SH has shown a superior hydrogen (H2) generation via photocatalytic splitting of water (H2O) and formic acid (FA) as well as photocatalytic reduction of carbon dioxide (CO2) to methanol (MeOH). The H2 production rate under UVA from H2O and FA was 0.02 and 3.91 mmol g−1 h−1 respectively while MeOH formation rate was 1.97 mmol g−1 h−1 from CO2. The DFT calculations of the reactants and products were also investigated.

AB - The mixed-phase titanium dioxide (TiO2) nanoparticles were prepared by two different methods; sonothermal (S) and sonothermal followed by hydrothermal (SH). The TiO2 prepared by SH has shown a superior hydrogen (H2) generation via photocatalytic splitting of water (H2O) and formic acid (FA) as well as photocatalytic reduction of carbon dioxide (CO2) to methanol (MeOH). The H2 production rate under UVA from H2O and FA was 0.02 and 3.91 mmol g−1 h−1 respectively while MeOH formation rate was 1.97 mmol g−1 h−1 from CO2. The DFT calculations of the reactants and products were also investigated.

KW - Adsorption energy

KW - DFT Calculations

KW - Photoactivation

KW - Photocatalysis

KW - TiO

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JF - ChemistrySelect

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ER -

Insight of Diversified Reactivity and Theoretical Study of Mixed-Phase Titanium Dioxide for the Photoactivation of Small Molecules

Abstract

Keywords

UN SDGs

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