% IMPORTANT: The following is UTF-8 encoded.  This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.

@ARTICLE{BlancoGarcia:626716,
      author       = {Blanco Garcia, Miguel and Perilli, Daniele and Daldossi,
                      Chiara and Ugolotti, Aldo and Giordano, Marta and Dolling,
                      Silvan and Wagstaffe, Michael and Kohantorabi, Mona and
                      Stierle, Andreas and Di Valentin, Cristiana and Noei,
                      Heshmat},
      title        = {{U}nravelling the {R}ole of the {M}ulti-{F}unctional
                      {G}roups in the {A}dsorption of {L}-{C}ysteine on {R}utile
                      {T}i{O}₂(110)},
      journal      = {Journal of the American Chemical Society},
      volume       = {147},
      number       = {44},
      issn         = {0002-7863},
      address      = {Washington, DC},
      publisher    = {ACS Publications},
      reportid     = {PUBDB-2025-01513},
      pages        = {40158 - 40170},
      year         = {2025},
      abstract     = {Understanding the interaction between biomolecules and
                      oxide surfaces is essential for advancing technologies in
                      photocatalysis, virus inactivation, and self-cleaning
                      materials. This study investigates the adsorption behavior
                      of L-cysteine on the rutile TiO₂(110) surface using a
                      combined experimental and theoretical approach. By employing
                      X-ray photoelectron spectroscopy (XPS), Fourier-transform
                      infrared reflection absorption spectroscopy (FT-IRRAS),
                      scanning tunneling microscopy (STM), and density functional
                      theory (DFT) calculations, we elucidate the molecular
                      configurations and bonding mechanisms involved in the
                      interaction of cysteine with the TiO₂ surface. The results
                      reveal three distinct adsorption geometries: two bidentate
                      bridging modes involving the carboxylate group and amino
                      group and a configuration involving the interaction of the
                      thiolate group with titanium atoms. Additionally, at higher
                      coverages, cysteine molecules form dimers stabilized by
                      disulfide bonds, while maintaining a zwitterionic state. Our
                      study highlights, for the first time, the key role of the
                      thiol group in cysteine adsorption on TiO2, both for surface
                      direct binding and dimer formation. These findings provide
                      new insights into the fundamental principles of
                      biomolecule-semiconductor interactions, with important
                      implications for surface-functionalized materials in
                      catalysis and sensing.},
      cin          = {FS-NL},
      ddc          = {540},
      cid          = {I:(DE-H253)FS-NL-20120731},
      pnm          = {632 - Materials – Quantum, Complex and Functional
                      Materials (POF4-632)},
      pid          = {G:(DE-HGF)POF4-632},
      experiment   = {EXP:(DE-H253)Nanolab-02-20150101 /
                      EXP:(DE-H253)Nanolab-01-20150101},
      typ          = {PUB:(DE-HGF)16},
      doi          = {10.1021/jacs.5c07119},
      url          = {https://bib-pubdb1.desy.de/record/626716},
}