Graphene Production

A Practical Method of Graphene Production

Graphene’s rediscovery and characterization in 2004 immediately captured the imagination of the scientific world.

The Nobel Prize award to Geim and Novoselov in 2010 reflects the importance of graphene for fundamental science and for numerous applications. It is essential though to develop a reliable method for mass production of graphene to make full use of its properties on an industrial scale.

Molecular Simulation with Materials Studio

BIOVIA’s Riichi Kuwahara, as part of a large group of scientists from various universities in Japan, has recently published a paper in the Nanoscale Advances journal, “Mass production of low-boiling point solvent- and water-soluble graphene by simple salt-assisted ball milling.”

They showed that a mechanochemical reaction with salts could produce water-soluble graphene.

Molecular simulation using BIOVIA Materials Studio was essential to explain how weak acid salts make it easy to exfoliate graphite layers in low boiling point solvents.

Riichi and colleagues used highly efficient density functional code DMol3 and the state-of-the-art exchange-correlation meta-GGA functional, SCAN, to explain the mechanism behind this new, highly efficient technology.

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Victor.MILMAN@3ds.com'

Victor Milman

BIOVIA, Dassault Systèmes
Senior Director of the Quantum Mechanics and Nanotechnology R&D Team, Victor Milman, Ph.D., joined BIOVIA in 1994 and currently serves as a senior fellow and manager of quantum mechanics and nanotechnology research and development team. He graduated from Moscow Institute of Physics and Technology and received his doctorate in solid state physics from The Ukrainian Academy of Sciences. His subsequent research at the Institute of Metal Physics in Kiev focused on development of first principles techniques for study of lattice properties of inorganic crystals. This work continued at the Cavendish Laboratory, Cambridge, where he was employed as a Research Associate for the SERC Collaborative Computational Project in electronic structure of solids. This activity in the group of Professor Heine and Professor Payne culminated in the public release of CASTEP, a revolutionary code for quantum-mechanical modelling of solids and surfaces. Milman further worked for a year as a visiting research fellow at the DOE Oak Ridge National Laboratory, concentrating on applications of CASTEP to physics of semiconductors, from modelling growth processes to study of extended defects. Victor Milman has 150 peer-reviewed publications with the h-index of 29, which reflects both productivity and high scientific impact of his research. His contributions include numerous conference presentations, co-supervision of doctorate students with University of Cambridge and with University College London, organization of meetings and symposia, regular refereeing of papers for the major journals in physics and chemistry.
Victor.MILMAN@3ds.com'

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