4.6 Article

Role of the organic linker in the early stages of the templated synthesis of PMOs

期刊

PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 15, 期 17, 页码 6166-6169

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ROYAL SOC CHEMISTRY
DOI: 10.1039/c3cp50193k

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资金

  1. FCT
  2. FEDER for programme Ciencia
  3. HPC-EUROPA2 project [228398]
  4. European Commission - Capacities Area Research Infrastructures
  5. Office of Science and Technology through EPSRC's High End Computing Programme
  6. [PTDC/EQU-EQU/099423/2008]
  7. [PTDC/QUI-QUI/109914/2009]
  8. Fundação para a Ciência e a Tecnologia [PTDC/QUI-QUI/109914/2009, PTDC/EQU-EQU/099423/2008] Funding Source: FCT

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Classical MD simulations for surfactant-bromide-water solutions containing several organosilicate precursors show that the presence or absence of molecular-scale periodicity in the pore walls of PMOs is dictated by the strength of the surfactant micelle-organosilica interaction and by the relative flexibility and orientation of the organic linker.

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