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

Michael Wagstaffe; Andrew G. Thomas; Mark. J. Jackman; Maria Torres-Molina; Karen L. 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 G. Thomas, Mark. J. Jackman, Maria Torres-Molina, Karen L. Syres, Karsten Handrup

MAX IV Laboratory

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 degrees away from the surface plane with an azimuthal twist of 57 +/- 11 degrees away from the [101] azimuth.

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

Subject classification (UKÄ)

Physical Chemistry (including Surface- and Colloid Chemistry)

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10.1021/acs.jpcc.5b11258

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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 degrees away from the surface plane with an azimuthal twist of 57 +/- 11 degrees away from the [101] azimuth.",

author = "Michael Wagstaffe and Thomas, {Andrew G.} and Jackman, {Mark. J.} and Maria Torres-Molina and Syres, {Karen L.} and Karsten Handrup",

year = "2016",

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

language = "English",

volume = "120",

pages = "1693--1700",

journal = "Journal of Physical Chemistry C",

issn = "1932-7447",

publisher = "The American Chemical Society (ACS)",

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TY - JOUR

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

AU - Wagstaffe, Michael

AU - Thomas, Andrew G.

AU - Jackman, Mark. J.

AU - Torres-Molina, Maria

AU - Syres, Karen L.

AU - Handrup, Karsten

PY - 2016

Y1 - 2016

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 degrees away from the surface plane with an azimuthal twist of 57 +/- 11 degrees 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 degrees away from the surface plane with an azimuthal twist of 57 +/- 11 degrees away from the [101] azimuth.

U2 - 10.1021/acs.jpcc.5b11258

DO - 10.1021/acs.jpcc.5b11258

M3 - Article

SN - 1932-7447

VL - 120

SP - 1693

EP - 1700

JO - Journal of Physical Chemistry C

JF - 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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