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13–17 Sept 2015
Freising
Europe/Berlin timezone

Ab initio vibrational properties of the MXene materials functionalized by fluorine, oxygen and hydroxyl group

14 Sept 2015, 19:00
2h
Freising

Freising

Board: 5
Poster DyProSo2015 Main track Poster session w/ wine/beer

Speaker

Mrs Magdalena Wąsik (Institute of Technology, Pedagogical University of Cracow, 30-084 Cracow, Podchorazych 2)

Description

A new family of 2D-like nano-sized binary and ternary transition metal carbides (known also as MXenes) has received significant scientific interest due to their intriguing functionalities and technological applications. Physical and chemical properties of these material can be triggered by terminating their surfaces by various adatoms or molecules. This contribution presents first-principle studies of the influence of fluorine and oxygen adatoms as well as the surface terminating OH group on the lattice dynamics of pristine Ti2C monolayers.

Primary author

Mrs Magdalena Wąsik (Institute of Technology, Pedagogical University of Cracow, 30-084 Cracow, Podchorazych 2)

Co-author

Dr Urszula Wdowik (Institute of Technology, Pedagogical University of Cracow, 30-084 Cracow, Podchorazych 2)

Presentation materials

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