Possible applications of Mo2C in the orthorhombic and hexagonal phases explored via ab-initio investigations of elastic, bonding, optoelectronic and thermophysical properties

• Published in: Results in physics Vol. 37; p. 105505
• Main Authors: Naher, M.I., Naqib, S.H.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.06.2022; Elsevier
• Subjects: Bonding character; Elastic properties; Mo2C in orthorhombic and hexagonal phases; Optoelectronic properties; Thermophysical properties; Mo2C in orthorhombic and hexagonal phases; Elastic properties; Optoelectronic properties; Bonding character; Thermophysical properties

•A large number of hitherto unexplored physical properties of Mo2C are studied for the first time.•Both orthorhombic and hexagonal Mo2C are hard, ductile, and highly machinable.•Both orthorhombic and hexagonal Mo2C are metallic with a strong electronic correlation in the orthorhombic phase.•Mo2C in...