000184115 001__ 184115
000184115 005__ 20181203023003.0
000184115 0247_ $$2doi$$a10.1021/jp308614k
000184115 022__ $$a1932-7447
000184115 02470 $$2ISI$$a000310769300040
000184115 037__ $$aARTICLE
000184115 245__ $$aAdsorbate-Induced Modification of Surface Electronic Structure: Pyrocatechol Adsorption on the Anatase TiO2 (101) and Rutile TiO2 (110) Surfaces
000184115 260__ $$aWashington$$bAmerican Chemical Society$$c2012
000184115 269__ $$a2012
000184115 300__ $$a11
000184115 336__ $$aJournal Articles
000184115 520__ $$aPhotoemission and near-edge X-ray absorption fine structure (NEXAFS) techniques have been used to study the adsorption of pyrocatechol on anatase TiO2 (101) and rutile TiO2 (110) single crystals. Photoemission results suggest the pyrocatechol molecule adsorbs on both surfaces predominantly in a bidentate geometry. Using the searchlight effect, the carbon K-edge NEXAFS spectra recorded for pyrocatechol on anatase TiO2 (101) and rutile TiO2 (110) show the phenyl rings in the pyrocatechol molecule to be oriented at 27 +/- 6 degrees and 2.3 +/- 8 degrees, respectively, from the surface normal. Experimental data and computational models of the pyrocatechol-anatase TiO2 interface indicate the appearance of new occupied and unoccupied states on adsorption due to hybridization between the electronic states of the pyrocatechol molecule and the surface. The atomic character of the new orbitals created facilitates direct photoinjection from pyrocatechol into anatase TiO2 and induces a strong final state effect in the carbon K-edge NEXAFS spectrum.
000184115 700__ $$aSyres, Karen L.$$uUniv Manchester, Sch Phys & Astron, Manchester M13 9PL, Lancs, England
000184115 700__ $$aThomas, Andrew G.$$uUniv Manchester, Sch Phys & Astron, Manchester M13 9PL, Lancs, England
000184115 700__ $$aFlavell, Wendy R.$$uUniv Manchester, Sch Phys & Astron, Manchester M13 9PL, Lancs, England
000184115 700__ $$aSpencer, Ben F.$$uUniv Manchester, Sch Phys & Astron, Manchester M13 9PL, Lancs, England
000184115 700__ $$aBondino, Federica$$uIOM CNR, Lab TASC, I-34149 Trieste, Italy
000184115 700__ $$aMalvestuto, Marco$$uSincrotrone Trieste SCpA Interesse Nazl, I-34149 Trieste, Italy
000184115 700__ $$aPreobrajenski, Alexei$$uLund Univ, MAX Lab, SE-22363 Lund, Sweden
000184115 700__ $$0240191$$aGraetzel, Michael$$g105292
000184115 773__ $$j116$$k44$$q23515-23525$$tJournal Of Physical Chemistry C
000184115 909C0 $$0252060$$pLPI$$xU10101
000184115 909CO $$ooai:infoscience.tind.io:184115$$pSB$$particle
000184115 917Z8 $$x105528
000184115 937__ $$aEPFL-ARTICLE-184115
000184115 973__ $$aEPFL$$rREVIEWED$$sPUBLISHED
000184115 980__ $$aARTICLE