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Instruments / Technical Area	Publication Details	Published	Actions
B22-Multimode InfraRed imaging And Microspectroscopy	A multimodal study on the unique sensing behavior of a guest@metal-organic framework material for the detection of volatile acetone Annika F. Moeslein , Mario Gutierrez , Kirill Titov , Lorenzo Donà , Bartolomeo Civalleri , Mark D. Frogley , Gianfelice Cinque , Svemir Rudic , Jin-Chong Tan Advanced Materials Interfaces 112 DOI: 10.1002/admi.202201401 Diamond Proposal Number(s): [14902, 25407] Open Access Show Abstract ▼ Abstract: Owing to their unique functionalities and tailorable properties that are unattainable in conventional materials, metal-organic frameworks (MOFs) have emerged as candidate materials for next-generation chemical sensors and optoelectronics. For instance, the ZnQ@OX-1 composite material, comprising a light-emitting guest encapsulated in the pores of the OX-1 framework, affords excellent sensing performance: a visible color change upon exposure to volatile acetone. In this work, a multimodal study on the exceptional vapochromism of this composite material using high-resolution spectroscopy techniques based on inelastic neutron scattering and synchrotron radiation is presented, supported by density functional theory calculations. While FTIR spectroscopy in the far-IR and mid-IR regions reveals the underlying interactions between ZnQ, OX-1, and acetone, the limit of detection at 50 ppm is determined through in situ gas dosing experiments using fluorescence spectroscopy. In addition, in situ gas dosing on the single crystal level is achieved with near-field infrared nanospectroscopy.	Dec 2022
B22-Multimode InfraRed imaging And Microspectroscopy	Broadband dielectric behavior of an MIL-100 metal–organic framework as a function of structural amorphization Arun Singh Babal , Barbara Souza , Annika F. Moeslein , Mario Gutierrez , Mark D. Frogley , Jin-Chong Tan Acs Applied Electronic Materials DOI: 10.1021/acsaelm.0c01045 Diamond Proposal Number(s): [21472] Show Abstract ▼ Abstract: The performance of modern electronics is associated with multi-layered interconnects, encouraging the development of low-k dielectrics. Herein, we studied the effects of phase transition from crystalline to amorphous on dielectric, optical, and electrical properties of MIL-100 (Fe) and Basolite F300 metal–organic frameworks obtained using different synthesis techniques in both the radio (4–1.5 MHz) and infrared (IR, 1.2–150 THz) frequency regimes, which are important for the microelectronics, IR optical sensors, and high-frequency telecommunications. The impact of amorphization on the broadband dielectric response was established based on the following: (1) by comparison of the dielectric characteristics of commercially available amorphous Basolite F300 versus mechanochemically synthesized crystalline MIL-100 (Fe) in the MHz region and (2) by tracking the frequency shifts in the vibrational modes of the MIL-100 structure in the far-IR (phonons) and mid-IR regions. We showed that various parameters such as the pelleting pressure, temperature, frequency, density, and degree of amorphization greatly affect the dielectric properties of the framework. We also investigated the influence of temperature (20–100 °C) on the electric and dielectric responses in the MHz region, which are crucial for all electronic devices.	Feb 2021

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