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@ARTICLE{Xiang:857550,
      author       = {Xiang, Guolei and Tang, Yan and Liu, Zigeng and Zhu, Wei
                      and Liu, Haitao and Wang, Jiaou and Zhong, Guiming and Li,
                      Jun and Wang, Xun},
      title        = {{P}robing {L}igand-{I}nduced {C}ooperative {O}rbital
                      {R}edistribution {T}hat {D}ominates {N}anoscale
                      {M}olecule–{S}urface {I}nteractions with
                      {O}ne-{U}nit-{T}hin {T}i{O} 2 {N}anosheets},
      journal      = {Nano letters},
      volume       = {18},
      number       = {12},
      issn         = {1530-6992},
      address      = {Washington, DC},
      publisher    = {ACS Publ.},
      reportid     = {FZJ-2018-06541},
      pages        = {7809-7815},
      year         = {2018},
      abstract     = {Understanding the general electronic principles underlying
                      molecule–surface interactions at the nanoscale is crucial
                      for revealing the processes based on chemisorption, like
                      catalysis, surface ligation, surface fluorescence, etc.
                      However, the electronic mechanisms of how surface states
                      affect and even dominate the properties of nanomaterials
                      have long remained unclear. Here, using one-unit-thin TiO2
                      nanosheet as a model surface platform, we find that surface
                      ligands can competitively polarize and confine the valence
                      3d orbitals of surface Ti atoms from delocalized energy band
                      states to localized chemisorption bonds, through probing the
                      surface chemical interaction at the orbital level with
                      near-edge X-ray absorption fine structure (NEXAFS). Such
                      ligand-induced orbital redistributions, which are revealed
                      by combining experimental discoveries, quantum calculations,
                      and theoretical analysis, are cooperative with ligand
                      coverages and can enhance the strength of chemisorption and
                      ligation-induced surface effects on nanomaterials. The model
                      and concept of nanoscale cooperative chemisorption reveal
                      the general physical principle that drives the
                      coverage-dependent ligand-induced surface effects on
                      regulating the electronic structures, surface activity,
                      optical properties, and chemisorption strength of
                      nanomaterials.},
      cin          = {IEK-9},
      ddc          = {660},
      cid          = {I:(DE-Juel1)IEK-9-20110218},
      pnm          = {135 - Fuel Cells (POF3-135)},
      pid          = {G:(DE-HGF)POF3-135},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:30407013},
      UT           = {WOS:000453488800051},
      doi          = {10.1021/acs.nanolett.8b03572},
      url          = {https://juser.fz-juelich.de/record/857550},
}