Emily A. Verhaeg, Hiromichi Hoshina, Jun Kikuchi, Luca Catalano and Michael T. Ruggiero
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Solving the cellulose I polymorphic structural riddle: disorder in hydrogen bond networks activates diagnostic terahertz dynamics†
Cellulose is a common polymer found in natural sources, with the potential to be used in a wide variety of green and technologically relevant applications. Despite years of effort, the precise three-dimensional structures of two crystalline polymorphs of cellulose, Iα and Iβ, are currently still unknown due to the presence of disorder in the intermolecular hydrogen bond networks, hampering the in-depth understanding of the structure–property relationship of this crystalline material. Disorder in the hydrogen bond networks of cellulose I polymorphs was investigated using terahertz spectroscopy, powder X-ray diffraction, and solid-state density functional theory in order to reveal previously undiscovered atomic-level details about the crystal structures. We show that the nature of the (dis)order in the hydrogen-bonded layers has a direct effect on the terahertz vibrational spectra, providing contrast that allows differentiating between various structures spectroscopically. Comparison between theoretical and experimental data indicates that these two static networks coexist spatially throughout cellulose I polymorphs.
期刊介绍:
The Journal of Materials Chemistry is divided into three distinct sections, A, B, and C, each catering to specific applications of the materials under study:
Journal of Materials Chemistry A focuses primarily on materials intended for applications in energy and sustainability.
Journal of Materials Chemistry B specializes in materials designed for applications in biology and medicine.
Journal of Materials Chemistry C is dedicated to materials suitable for applications in optical, magnetic, and electronic devices.
Example topic areas within the scope of Journal of Materials Chemistry C are listed below. This list is neither exhaustive nor exclusive.
Bioelectronics
Conductors
Detectors
Dielectrics
Displays
Ferroelectrics
Lasers
LEDs
Lighting
Liquid crystals
Memory
Metamaterials
Multiferroics
Photonics
Photovoltaics
Semiconductors
Sensors
Single molecule conductors
Spintronics
Superconductors
Thermoelectrics
Topological insulators
Transistors