Two-dimensional titanium carbonitrides and their hydroxylated derivatives: Structural, electronic properties and stability of MXenes Ti3C 2-xNx(OH)2 from DFTB calculations

Journal of Solid State Chemistry

Volumn 207, Issue , 2013, Pages 42-48

  Enyashin, A N ^a   Ivanovskii, A L ^a  

^a INSTITUTE OF SOLID STATE CHEMISTRY   (Russian Federation)

Author keywords

DFTB calculations; Electronic properties; Hydroxylated derivatives; Nano sized 2D like titanium carbonitrides; Stability; Structural

Indexed keywords

HOLLOW SITES; RANDOM DISTRIBUTION; STRUCTURAL; STRUCTURAL , ELECTRONIC PROPERTIES; TITANIUM CARBONITRIDES;

CARBON NITRIDE; CONVERGENCE OF NUMERICAL METHODS; HYDROXYLATION; TITANIUM; TWO DIMENSIONAL;

ELECTRONIC PROPERTIES;

EID: 84884617190     PISSN: 00224596     EISSN: 1095726X     Source Type: Journal    
DOI: 10.1016/j.jssc.2013.09.010     Document Type: Article

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