Lattice dynamics and electronic structures of Ti3C2O2 and Mo2TiC2O2 (MXenes): The effect of Mo substitution

Computational Materials Science

Volumn 124, Issue , 2016, Pages 8-14

  Li, Longhua ^a  

^a JIANGSU UNIVERSITY   (China)

Author keywords

DFT; Mo substitution; MXene; Phonon; Spin orbit coupling

Indexed keywords

CARBON; CHEMICAL BONDS; CRYSTAL LATTICES; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; METALS; PHONONS; TITANIUM; TITANIUM CARBIDE; TOPOLOGY; TRANSITION METALS;

BAND INVERSION; CHEMICAL BONDINGS; ELECTRONIC BAND STRUCTURE; ELECTRONIC COUPLING; MXENE; SPIN-ORBIT COUPLINGS; STRUCTURAL CONFIGURATIONS;

MOLYBDENUM;

EID: 84979018811     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2016.07.008     Document Type: Article

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