Probing the vibrational and local dynamics of conjugated microporous materials for photocatalysis applications
Conjugated microporous polymers (CMPs) are a new class of materials within the molecular electronic materials family that are promising for solar energy conversion applications, especially hydrogen production from water through photocatalysis. They are typically used in mixture of water/methanol/triethylamine. CMPs exhibit a 3D polymer backbone network and a complex network of micropores and mesopores. They are of amorphous nature as evidenced by XRay diffraction. Modelling suggests that rings of up to 6 monomers can be formed depending on the building blocks and different vibrational signatures are observed by FTIR. We propose to probe the guest (water)/host (CMPs) dynamics by quasi-elastic neutron scattering and further study the vibrational behaviour of CMPs in the aqueous environment by inelastic neutron scattering in order to resolve possible coupling between host and guest. We are undertaking molecular dynamics simulation on this class of materials and the inelastic neutron scattering measurements will be accompanied by density functional theory calculations.
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GUILBERT Anne; NELSON Jenny and ZBIRI Mohamed. (2018). Probing the vibrational and local dynamics of conjugated microporous materials for photocatalysis applications. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.6-07-26
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