Fig. 5: Geometric configuration, electronic properties, and adsorption behavior of Ti₂CO₂ and TiNbCO₂ monolayers. | Communications Materials

Fig. 5: Geometric configuration, electronic properties, and adsorption behavior of Ti₂CO₂ and TiNbCO₂ monolayers.

From: TiNbC MXene cathode for high-performance aluminum-ion batteries

Fig. 5

a Top and side views of the Ti2CO2 monolayer and the corresponding band structure. b Top and side views of the TiNbCO2 monolayer and the corresponding band structure. Top and side views of AlCl4 adsorbed on the (c) Ti2CO2 and (d) TiNbCO2 monolayers. Top and side views of Al adsorbed on the (e) Ti2CO2 and (f) TiNbCO2 monolayers. Blue spheres = Ti, green spheres = Nb, gray spheres = C, red spheres = O, pink spheres = Al, and yellow spheres = Cl.

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