An Experimental Investigation of the Adsorption of a Phosphonic Acid on the Anatase TiO2(101) Surface

Michael Wagstaffe; Andrew Thomas; Mark Jackman; Maria Torres molina; Karen Louise Syres; Karsten Handrup

doi:10.1021/acs.jpcc.5b11258

An Experimental Investigation of the Adsorption of a Phosphonic Acid on the Anatase TiO2(101) Surface

Michael Wagstaffe, Andrew Thomas, Mark Jackman, Maria Torres molina, Karen Louise Syres, Karsten Handrup

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

Abstract

A combination of synchrotron radiation photoelectron spectroscopy and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy has been used to study the adsorption of phenylphosphonic acid (PPA) on anatase TiO2(101) single crystal at coverages of 0.15 monolayer (ML) and 0.85 ML. The photoelectron spectroscopy data suggest that at 0.15 ML coverage PPA adsorbs in a bidentate geometry following deprotonation of both phosphonate hydroxyl groups, leaving the P═O group unbound. At 0.85 ML there is a shift to a mixed bidentate/monodentate binding mode. The carbon K-edge NEXAFS spectra were recorded at two azimuths. Our calculations show that for PPA on anatase TiO2(101) the phenyl ring is oriented 65 ± 4° away from the surface plane with an azimuthal twist of 57 ± 11° away from the [101] azimuth.

Original language	English
Pages (from-to)	1693-1700
Journal	The Journal of Physical Chemistry C
Volume	120
Issue number	3
DOIs	https://doi.org/10.1021/acs.jpcc.5b11258
Publication status	Published - 5 Jan 2016

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title = "An Experimental Investigation of the Adsorption of a Phosphonic Acid on the Anatase TiO2(101) Surface",

abstract = "A combination of synchrotron radiation photoelectron spectroscopy and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy has been used to study the adsorption of phenylphosphonic acid (PPA) on anatase TiO2(101) single crystal at coverages of 0.15 monolayer (ML) and 0.85 ML. The photoelectron spectroscopy data suggest that at 0.15 ML coverage PPA adsorbs in a bidentate geometry following deprotonation of both phosphonate hydroxyl groups, leaving the P═O group unbound. At 0.85 ML there is a shift to a mixed bidentate/monodentate binding mode. The carbon K-edge NEXAFS spectra were recorded at two azimuths. Our calculations show that for PPA on anatase TiO2(101) the phenyl ring is oriented 65 ± 4° away from the surface plane with an azimuthal twist of 57 ± 11° away from the [101] azimuth.",

author = "Michael Wagstaffe and Andrew Thomas and Mark Jackman and {Torres molina}, Maria and Syres, {Karen Louise} and Karsten Handrup",

note = "MW acknowledges a Doctoral training award studentship from EPSRC, and a University of Manchester President{\^a}€{\texttrademark}s Scholarship, MJJ holds a studentship funded by the EPSRC Doctoral Training Centre NowNano (grant EP/G03737X/1). MTM is funded by BP ICAM. The authors would like to thank the EPSRC UK for funding via travel grant EP/M026817/1 and MAXLab and the Swedish Research Council for the beamtme awardPublishers reference jp-2015-112583.R1",

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doi = "10.1021/acs.jpcc.5b11258",

language = "English",

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T1 - An Experimental Investigation of the Adsorption of a Phosphonic Acid on the Anatase TiO2(101) Surface

AU - Wagstaffe, Michael

AU - Thomas, Andrew

AU - Jackman, Mark

AU - Torres molina, Maria

AU - Syres, Karen Louise

AU - Handrup, Karsten

N1 - MW acknowledges a Doctoral training award studentship from EPSRC, and a University of Manchester Presidentâ€™s Scholarship, MJJ holds a studentship funded by the EPSRC Doctoral Training Centre NowNano (grant EP/G03737X/1). MTM is funded by BP ICAM. The authors would like to thank the EPSRC UK for funding via travel grant EP/M026817/1 and MAXLab and the Swedish Research Council for the beamtme awardPublishers reference jp-2015-112583.R1

PY - 2016/1/5

Y1 - 2016/1/5

N2 - A combination of synchrotron radiation photoelectron spectroscopy and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy has been used to study the adsorption of phenylphosphonic acid (PPA) on anatase TiO2(101) single crystal at coverages of 0.15 monolayer (ML) and 0.85 ML. The photoelectron spectroscopy data suggest that at 0.15 ML coverage PPA adsorbs in a bidentate geometry following deprotonation of both phosphonate hydroxyl groups, leaving the P═O group unbound. At 0.85 ML there is a shift to a mixed bidentate/monodentate binding mode. The carbon K-edge NEXAFS spectra were recorded at two azimuths. Our calculations show that for PPA on anatase TiO2(101) the phenyl ring is oriented 65 ± 4° away from the surface plane with an azimuthal twist of 57 ± 11° away from the [101] azimuth.

AB - A combination of synchrotron radiation photoelectron spectroscopy and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy has been used to study the adsorption of phenylphosphonic acid (PPA) on anatase TiO2(101) single crystal at coverages of 0.15 monolayer (ML) and 0.85 ML. The photoelectron spectroscopy data suggest that at 0.15 ML coverage PPA adsorbs in a bidentate geometry following deprotonation of both phosphonate hydroxyl groups, leaving the P═O group unbound. At 0.85 ML there is a shift to a mixed bidentate/monodentate binding mode. The carbon K-edge NEXAFS spectra were recorded at two azimuths. Our calculations show that for PPA on anatase TiO2(101) the phenyl ring is oriented 65 ± 4° away from the surface plane with an azimuthal twist of 57 ± 11° away from the [101] azimuth.

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DO - 10.1021/acs.jpcc.5b11258

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VL - 120

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JO - The Journal of Physical Chemistry C

JF - The Journal of Physical Chemistry C

IS - 3

ER -

An Experimental Investigation of the Adsorption of a Phosphonic Acid on the Anatase TiO2(101) Surface

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