Rigaku Develops Technology for 3D Visualization of the Atomic-scale Structure of Amorphous Carbon

- Contributes to the development of high-performance materials for battery devices and the like - Features of the New Technology The technology succeeds in making visible information on the atomic-scale 3D structure of amorphous carbon, based on measured X-ray scattering data. By making available detailed information on the atomic-scale 3D structure and internal structure of amorphous carbon, the technology facilitates the development of materials that serve intended applications. This method enables visualization of the atomic-scale 3D structures of a wide range of materials, among crystalline and amorphous1 materials.

The X-ray Laboratory of Rigaku Corporation, a Rigaku Holdings Group company and a global solution partner for X-ray analysis (headquarters: Akishima, Tokyo; president and CEO: Jun Kawakami; “Rigaku”), has developed the Total X-ray Scattering and RMC Modeling Method (“TXS-RMC”). TXS-RMC is a powerful technology that clarifies the atomic-scale 3D structure of amorphous carbon¹.

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The structural model of amorphous carbon (left), estimated by TXS-RMC using SmartLab (right) (Graphic: Business Wire)

TXS-RMC facilitates deeper understanding of the structure and function of not only amorphous materials but also crystalline materials. It is also expected to contribute to improved performance in battery devices and accelerating the development of advanced functional materials for the transmission of gases, fluids and electricity.

1: “Amorphous” is defined as, of a material, possessing an irregular arrangement of atoms or molecules, rather than a regular arrangement as in the case of a crystal.

Previously, the atomic-scale structure of amorphous materials could only be handled qualitatively, or predicted/estimated using molecular dynamics (MD). Use of the 3D structural visualization technology of TXS-RMC enables accurate information to be obtained. Expected applications include advancement of understanding of physical properties and prediction of features in connection with the atomic-scale structures.

TXS-RMC is a technology that responds to strong demand in the development of advanced functional materials for ways of determining whether a given material possesses intended structure, properties or characteristics. Another major breakthrough with TXS-RMC is its broadening of the range of materials to which X-ray analysis of atomic-scale structure can be applied, encompassing not only crystals but also amorphous materials.

A paper on TXS-RMC was published in the October 25, 2024 edition of Scientific Reports:
“Local structure of Amorphous carbon investigated by X-ray total scattering and RMC modeling”
https://www.nature.com/articles/s41598-024-76796-x

About Rigaku’s X-ray Laboratory

Established in 1992, Rigaku’s X-ray Laboratory is the only privately operated laboratory in Japan dedicated to X-ray research. About 70 specialists in X-ray technology conduct research at the X-ray Laboratory, working not only on applications to products but also for the general advancement of science and technology for humanity.

About The Rigaku Group

Since its establishment in 1951, the engineering professionals of the Rigaku group have been dedicated to benefiting society with leading-edge technologies, notably including in its core fields of X-ray and thermal analysis. With a market presence in over 90 countries and some 2,000 employees from 9 global operations, Rigaku is a solution partner in industry and research analysis institutes. Our overseas sales ratio has reached approximately 70% while sustaining an exceptionally high market share in Japan. Together with our customers, we continue to develop and grow. As applications expand from semiconductors, electronic materials, batteries, environment, resources, energy, life science to other high-tech fields, Rigaku realizes innovations “To Improve Our World by Powering New Perspectives.”
For details, please visit rigaku-holdings.com

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