Thermal stability of two-dimensional titanium carbides Tin+1Cn (MXenes) from classical molecular dynamics simulations. (29th January 2019)
- Record Type:
- Journal Article
- Title:
- Thermal stability of two-dimensional titanium carbides Tin+1Cn (MXenes) from classical molecular dynamics simulations. (29th January 2019)
- Main Title:
- Thermal stability of two-dimensional titanium carbides Tin+1Cn (MXenes) from classical molecular dynamics simulations
- Authors:
- Borysiuk, Vadym
Mochalin, Vadym N. - Abstract:
- Abstract: Abstract : We report the classical molecular dynamics (MD) study of thermal stability of three two-dimensional (2D) titanium carbides Ti2 C, Ti3 C2, and Ti4 C3 (MXenes). Thermal properties of 2D nanomaterials are of fundamental importance and raise particular interest due to their potential applications in nanoelectronics. To investigate the behavior of Ti n +1 C n MXenes during heating, structural parameters such as Lindemann indexes, radial distribution functions, and atomistic configurations were calculated. The analysis of MD data allowed us to obtain approximate values of MXene degradation temperatures that are 1050, 1500, and 1700 K for Ti2 C, Ti3 C2, and Ti3 C4 MXenes, respectively.
- Is Part Of:
- MRS communications. Volume 9:Number 1(2019)
- Journal:
- MRS communications
- Issue:
- Volume 9:Number 1(2019)
- Issue Display:
- Volume 9, Issue 1 (2019)
- Year:
- 2019
- Volume:
- 9
- Issue:
- 1
- Issue Sort Value:
- 2019-0009-0001-0000
- Page Start:
- 203
- Page End:
- 208
- Publication Date:
- 2019-01-29
- Subjects:
- Materials -- Periodicals
620.11 - Journal URLs:
- http://journals.cambridge.org/action/displayJournal?jid=MRC ↗
http://link.springer.com/ ↗ - DOI:
- 10.1557/mrc.2019.2 ↗
- Languages:
- English
- ISSNs:
- 2159-6859
- Deposit Type:
- Legaldeposit
- View Content:
- Available online (eLD content is only available in our Reading Rooms) ↗
- Physical Locations:
- British Library DSC - BLDSS-3PM
British Library HMNTS - ELD Digital store - Ingest File:
- 9802.xml