Abstract
The effect of F and H dopants on the structural, elasticothermal and piezoelectric properties of Janus GeC hybrids is studied using ab-initio calculations. The large elastic regions observed reveal a high flexibility of Janus structures. A high rigidity with a hyperelastic softening behavior are observed for this class of materials making them very potential for automotive industry. Configurations where H-atoms decorate C atoms are cork materials. It is also demonstrated that ZA Grüneisen phonon mode are the main responsible of the negative value of thermal expansion. The ultralow thermal conductivity of Janus GeC structures indicate their potential application in thermoelectric devices. Therefore, the strain-engineering of hydro-fluorinated GeC would open a new avenue for potential and novel applications in nano-devices.
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