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@ARTICLE{Klemeyer:622040,
      author       = {Klemeyer, Lars and Gröne, Tjark L. R. and Zito, Cecilia de
                      Almeida and Vasylieva, Olga and Gumus Akcaalan, Melike and
                      Harouna-Mayer, Sani Y. and Caddeo, Francesco and Steenbock,
                      Torben and Hussak, Sarah-Alexandra and Kesavan, Jagadesh
                      Kopula and Dippel, Ann-Christin and Sun, Xiao and Köppen,
                      Andrea and Saveleva, Viktoriia A. and Kumar, Surender and
                      Bester, Gabriel and Glatzel, Pieter and Koziej, Dorota},
      title        = {{U}tilizing {H}igh {X}-ray {E}nergy {P}hoton-{I}n
                      {P}hoton-{O}ut {S}pectroscopies and {X}-ray {S}cattering to
                      {E}xperimentally {A}ssess the {E}mergence of {E}lectronic
                      and {A}tomic {S}tructure of {Z}n{S} {N}anorods},
      journal      = {Journal of the American Chemical Society},
      volume       = {146},
      number       = {49},
      issn         = {0002-7863},
      address      = {Washington, DC},
      publisher    = {ACS Publications},
      reportid     = {PUBDB-2025-00152},
      pages        = {33475-33484},
      year         = {2024},
      abstract     = {The key to controlling the fabrication process of
                      transition metal sulfide nanocrystals is to understand the
                      reaction mechanism, especially the coordination of ligands
                      and solvents during their synthesis. We utilize in situ
                      high-energy resolution fluorescence detected X-ray
                      absorption spectroscopy (HERFD-XAS) as well as in situ
                      valence-to-core X-ray emission spectroscopy (vtc-XES)
                      combined with density functional theory (DFT) calculations
                      to identify the formation of a tetrahedral
                      [Zn(OA)$_4$]$^{2+}$ and an octahedral [Zn(OA)$_6$]$^{2+}$
                      complex, and the ligand exchange to a tetrahedral
                      [Zn(SOA)$_4$]$^{2+}$ complex (OA = oleylamine, OAS =
                      oleylthioamide), during the synthesis of ZnS nanorods in
                      oleylamine. We observe in situ the transition of the
                      electronic structure of [Zn(SOA)$_4$]$^{2+}$ with a
                      HOMO/LUMO gap of 5.0 eV toward an electronic band gap of 4.3
                      and 3.8 eV for 1.9 nm large ZnS wurtzite nanospheres and 2
                      × 7 nm sphalerite nanorods, respectively. Thus, we
                      demonstrate how in situ multimodal X-ray spectroscopy and
                      scattering studies can not only resolve structure, size, and
                      shape during the growth and synthesis of NPs in organic
                      solvents and at high temperature but also give direct
                      information about their electronic structure, which is not
                      readily accessible through other techniques.},
      cin          = {DOOR ; HAS-User / FS-PETRA-D},
      ddc          = {540},
      cid          = {I:(DE-H253)HAS-User-20120731 /
                      I:(DE-H253)FS-PETRA-D-20210408},
      pnm          = {632 - Materials – Quantum, Complex and Functional
                      Materials (POF4-632) / 6G3 - PETRA III (DESY) (POF4-6G3) /
                      DFG project G:(GEPRIS)390715994 - EXC 2056: CUI: Advanced
                      Imaging of Matter (390715994) / GRK 2536 - GRK 2536:
                      Hybridstrukturen auf der Nanometerskala: Chemische Konzepte
                      zur Herstellung heterogener Nanostrukturen mit anisotropen
                      Materialeigenschaften (NANOHYBRID) (408076438) / LINCHPIN -
                      A platform to LINk between CHemistry and PhysIcs of
                      colloidal Nanomaterials (818941)},
      pid          = {G:(DE-HGF)POF4-632 / G:(DE-HGF)POF4-6G3 /
                      G:(GEPRIS)390715994 / G:(GEPRIS)408076438 /
                      G:(EU-Grant)818941},
      experiment   = {EXP:(DE-H253)P-P07-20150101 / EXP:(DE-H253)P-P21.1-20150101
                      / EXP:(DE-H253)P-P62-20221101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:39585247},
      UT           = {WOS:001362819700001},
      doi          = {10.1021/jacs.4c10257},
      url          = {https://bib-pubdb1.desy.de/record/622040},
}