Structure, Polarization, and Sum Frequency Generation Spectrum of

1 day ago - We investigate the prototypical aqueous interface with anatase TiO2 (101) using ab initio molecular dynamics (AIMD) with the strongly ...

Nov 2, 2018 - The photocatalytic activity of TiO2 for water splitting has been known for decades, yet the adsorption structure and hydrogen bonding of water at ...

Feb 17, 2007 - I. I. Rzeźnicka , R. Pandey , M. Schleeger , M. Bonn , and T. Weidner. Langmuir 2014 .... Dirk Schneider. Nature Communications 2015 6, 7018 ...

Dec 15, 2001 - Department of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502, Japan. James T. Hynes*. Department of Chemistry and Biochemistry, University ...... Sum-frequency generation echo and grating from interface. Victor

The infrared-visible sum frequency generation (SFG) spectrum of the surface of water was calculated with significantly improved accuracy via the ...

Dec 15, 2001 - Junming Ho , Brian T. Psciuk , Hilary M. Chase , Benjamin Rudshteyn , Mary Alice Upshur , Li Fu , Regan J. Thomson , Hong-Fei Wang , Franz M. Geiger , and Victor S. Batista. The Journal of ..... Theory of Time-Resolved Sum-Frequency Ge

Department of Chemistry, Graduate School of Science, Kyoto UniVersity, Kyoto ... Department of Chemistry and Biochemistry, UniVersity of Colorado, Boulder, ...

The infrared-visible sum frequency generation (SFG) spectrum of the surface of water was calculated with significantly improved accuracy via the ...

Oct 25, 2012 - Kett , P. J. N.; Casford , M. T. L.; Davies , P. B. Effect of Multiple Group Orientations on Sum Frequency Generation Spectra Mol. Phys. 2012 ...

Oct 25, 2012 - extended to monolayers where the SFG active functional group can adopt two different orientations [Kett, P. J. N.; Casford, M. T. L.; Davies, P. B. ...