Structure of nanocrystalline Ti3C2 MXene using atomic pair distribution function

Chenyang Shi; Majid Beidaghi; Michael Naguib; Olha Mashtalir; Yury Gogotsi; Simon J L Billinge

doi:10.1103/PhysRevLett.112.125501

Structure of nanocrystalline Ti3C2 MXene using atomic pair distribution function

Phys Rev Lett. 2014 Mar 28;112(12):125501. doi: 10.1103/PhysRevLett.112.125501. Epub 2014 Mar 26.

Authors

Chenyang Shi¹, Majid Beidaghi², Michael Naguib², Olha Mashtalir², Yury Gogotsi², Simon J L Billinge³

Affiliations

¹ Department of Applied Physics and Applied Mathematics, Columbia University, New York, New York 10027, USA.
² Department of Materials Science and Engineering, A.J.Drexel Nanomaterials Institute, Drexel University, Philadelphia, Pennsylvania 19104, USA.
³ Department of Applied Physics and Applied Mathematics, Columbia University, New York, New York 10027, USA and Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, Upton, New York 11973, USA.

PMID: 24724657
DOI: 10.1103/PhysRevLett.112.125501

Abstract

The structures of nanocrystalline pristine, potassium hydroxide and sodium acetate intercalated new two-dimensional materials Ti3C2 MXenes were studied using the x-ray atomic pair distribution function technique. Pristine MXene has a hexagonal structure with a=b=3.0505(5) Å, c=19.86(2) Å (S.G. P63/mmc No. 194). Both hydroxyl and fluoride terminating species are present. The intercalation of K+ or Na+ ions expands the Ti3C2 layers perpendicular to the planes but shrinks the in-plane a and b lattice parameters.