On the selectivity of butyric acid photoreforming over Au/TiO2 and Pt/TiO2 by UV and visible radiation: A combined experimental and theoretical study

Gabriele Scandura; Muhammad Sajjad; Nirpendra Singh; Giovanni Palmisano; Jorge Rodríguez

doi:10.1016/j.apcata.2021.118321

On the selectivity of butyric acid photoreforming over Au/TiO₂ and Pt/TiO₂ by UV and visible radiation: A combined experimental and theoretical study

Gabriele Scandura, Muhammad Sajjad, Nirpendra Singh, Giovanni Palmisano, Jorge Rodríguez

Research output: Journal Publication › Article › peer-review

9 Citations (Scopus)

Abstract

Commercial TiO₂ (P25) and synthesized TiO₂ nanorods (TNR) decorated by either Pt or Au nanoparticles, were used in the butyric acid photoreforming (BAPR) and characterized by XRD, TEM/EDS, porosimetry, and DRS. The selectivity toward a wide range of products (H₂, CO₂, alkanes, alkenes, organic acids) was investigated under three different irradiation sources (UV, vis, UV + vis). Butyric acid conversion (X_BA) and the selectivity to H₂ (S_H2), propane (S_C3H8), propene (S_C3H6) are suggested to be mainly affected by holes in the TiO₂ valence band, electrons over the noble metal, electrons in the TiO₂ conduction band, and holes over the metal, respectively. The highest X_BA and S_H2 were recorded with Pt/P25 under UV, whereas the largest S_C3H8 and S_C3H6 were observed with Au/TNR under UV + vis. First-principles calculations were performed with the aid of density functional theory, to investigate the energetic properties of metal/oxide structures and further elucidate the photocatalytic mechanism observed in the experiments.

Original language	English
Article number	118321
Journal	Applied Catalysis A: General
Volume	624
DOIs	https://doi.org/10.1016/j.apcata.2021.118321
Publication status	Published - 25 Aug 2021
Externally published	Yes

Keywords

Butyric acid
Hydrocarbons
Hydrogen
Photoreforming
Titanium dioxide

ASJC Scopus subject areas

Catalysis
Process Chemistry and Technology

Access to Document

10.1016/j.apcata.2021.118321

Cite this

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title = "On the selectivity of butyric acid photoreforming over Au/TiO2 and Pt/TiO2 by UV and visible radiation: A combined experimental and theoretical study",

abstract = "Commercial TiO2 (P25) and synthesized TiO2 nanorods (TNR) decorated by either Pt or Au nanoparticles, were used in the butyric acid photoreforming (BAPR) and characterized by XRD, TEM/EDS, porosimetry, and DRS. The selectivity toward a wide range of products (H2, CO2, alkanes, alkenes, organic acids) was investigated under three different irradiation sources (UV, vis, UV + vis). Butyric acid conversion (XBA) and the selectivity to H2 (SH2), propane (SC3H8), propene (SC3H6) are suggested to be mainly affected by holes in the TiO2 valence band, electrons over the noble metal, electrons in the TiO2 conduction band, and holes over the metal, respectively. The highest XBA and SH2 were recorded with Pt/P25 under UV, whereas the largest SC3H8 and SC3H6 were observed with Au/TNR under UV + vis. First-principles calculations were performed with the aid of density functional theory, to investigate the energetic properties of metal/oxide structures and further elucidate the photocatalytic mechanism observed in the experiments.",

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author = "Gabriele Scandura and Muhammad Sajjad and Nirpendra Singh and Giovanni Palmisano and Jorge Rodr{\'i}guez",

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year = "2021",

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AU - Scandura, Gabriele

AU - Sajjad, Muhammad

AU - Singh, Nirpendra

AU - Palmisano, Giovanni

AU - Rodríguez, Jorge

PY - 2021/8/25

Y1 - 2021/8/25

N2 - Commercial TiO2 (P25) and synthesized TiO2 nanorods (TNR) decorated by either Pt or Au nanoparticles, were used in the butyric acid photoreforming (BAPR) and characterized by XRD, TEM/EDS, porosimetry, and DRS. The selectivity toward a wide range of products (H2, CO2, alkanes, alkenes, organic acids) was investigated under three different irradiation sources (UV, vis, UV + vis). Butyric acid conversion (XBA) and the selectivity to H2 (SH2), propane (SC3H8), propene (SC3H6) are suggested to be mainly affected by holes in the TiO2 valence band, electrons over the noble metal, electrons in the TiO2 conduction band, and holes over the metal, respectively. The highest XBA and SH2 were recorded with Pt/P25 under UV, whereas the largest SC3H8 and SC3H6 were observed with Au/TNR under UV + vis. First-principles calculations were performed with the aid of density functional theory, to investigate the energetic properties of metal/oxide structures and further elucidate the photocatalytic mechanism observed in the experiments.

AB - Commercial TiO2 (P25) and synthesized TiO2 nanorods (TNR) decorated by either Pt or Au nanoparticles, were used in the butyric acid photoreforming (BAPR) and characterized by XRD, TEM/EDS, porosimetry, and DRS. The selectivity toward a wide range of products (H2, CO2, alkanes, alkenes, organic acids) was investigated under three different irradiation sources (UV, vis, UV + vis). Butyric acid conversion (XBA) and the selectivity to H2 (SH2), propane (SC3H8), propene (SC3H6) are suggested to be mainly affected by holes in the TiO2 valence band, electrons over the noble metal, electrons in the TiO2 conduction band, and holes over the metal, respectively. The highest XBA and SH2 were recorded with Pt/P25 under UV, whereas the largest SC3H8 and SC3H6 were observed with Au/TNR under UV + vis. First-principles calculations were performed with the aid of density functional theory, to investigate the energetic properties of metal/oxide structures and further elucidate the photocatalytic mechanism observed in the experiments.

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