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The properties of folded, bent and twisted graphene at nanoscale are difficult to study theoretically and experimentally. In his dissertation, however, Oleg Kit utilized symmetry, a time-worn concept of theoretical physics, to develop an effective method to run computer experiments on nanostructures under complex deformations.

The new method allows explorations of folding, bending and twisting in more diverse ways than previously. Information about nanostructure properties is obtained by modeling only a few atoms, instead of simulating the whole structures. As the research utilized the laws of quantum mechanics, the method provided also information about changes in the electronic structure of graphene.

The advantage of the technique is that it makes possible studies of structures with millions of atoms that lack traditional symmetries. It enabled simulations which predict that carbon nanotubes can be made by twisting graphene.

The disseration is published in the JYU Dissertations series, Ä¢¹½Ö±²¥, No. 59

Link to publication:  ISBN 978-951-39-7684-2 (PDF)  URN:ISBN:978-951-39-7684-2 ISSN 2489-9003

Defense of M.Sc. Oleg Kit’s dissertation "Nanostructure distortions simulated effectively: the technique and its nanocarbon applications" will be held on February 22th at 12-15 in Jyväskylä, Finland (Ylistönrinne campus, auditorium FYS1). Opponent is Professor Antti Karttunen (Aalto University) and custos Docent Pekka Koskinen (Ä¢¹½Ö±²¥). The language of the dissertation is English.