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CO adsorption on Pt-induced Ge nanowires

(2010) PHYSICAL REVIEW B. 81(23).
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Abstract
Using density-functional theory, we investigate the possible adsorption sites of CO molecules on the recently discovered Pt-induced Ge nanowires (NWs) on Ge(001). Calculated scanning tunneling microscope (STM) images are compared to experimental STM images to identify the experimentally observed adsorption sites. The CO molecules are found to adsorb preferably onto the Pt atoms between the Ge nanowire dimer segments. This adsorption site places the CO molecule in between two nanowire dimers, pushing them outward along the NW direction, blocking the nearest equivalent adsorption sites. This explains the observed long-range repulsive interaction between CO molecules on these Pt-induced nanowires.
Keywords
platinum, SURFACE, PT(111), scanning tunneling microscopy, density functional theory, nanowires, carbonmonoxide, AUGMENTED-WAVE METHOD, germanium, STM, OXIDATION, BINDING, GE(001), SITES, IMAGE

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Citation

Please use this url to cite or link to this publication:

Chicago
Vanpoucke, Danny, and Geert Brocks. 2010. “CO Adsorption on Pt-induced Ge Nanowires.” Physical Review B 81 (23).
APA
Vanpoucke, Danny, & Brocks, G. (2010). CO adsorption on Pt-induced Ge nanowires. PHYSICAL REVIEW B, 81(23).
Vancouver
1.
Vanpoucke D, Brocks G. CO adsorption on Pt-induced Ge nanowires. PHYSICAL REVIEW B. 2010;81(23).
MLA
Vanpoucke, Danny, and Geert Brocks. “CO Adsorption on Pt-induced Ge Nanowires.” PHYSICAL REVIEW B 81.23 (2010): n. pag. Print.
@article{1109413,
  abstract     = {Using density-functional theory, we investigate the possible adsorption sites of CO molecules on the recently discovered Pt-induced Ge nanowires (NWs) on Ge(001). Calculated scanning tunneling microscope (STM) images are compared to experimental STM images to identify the experimentally observed adsorption sites. The CO molecules are found to adsorb preferably onto the Pt atoms between the Ge nanowire dimer segments. This adsorption site places the CO molecule in between two nanowire dimers, pushing them outward along the NW direction, blocking the nearest equivalent adsorption sites. This explains the observed long-range repulsive interaction between CO molecules on these Pt-induced nanowires.},
  articleno    = {235434},
  author       = {Vanpoucke, Danny and Brocks, Geert},
  issn         = {1098-0121},
  journal      = {PHYSICAL REVIEW B},
  keyword      = {platinum,SURFACE,PT(111),scanning tunneling microscopy,density functional theory,nanowires,carbonmonoxide,AUGMENTED-WAVE METHOD,germanium,STM,OXIDATION,BINDING,GE(001),SITES,IMAGE},
  language     = {eng},
  number       = {23},
  pages        = {13},
  title        = {CO adsorption on Pt-induced Ge nanowires},
  url          = {http://dx.doi.org/10.1103/PhysRevB.81.235434},
  volume       = {81},
  year         = {2010},
}

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