Abstract

In this paper, we predicted a metallic CP3 monolayer and investigated its formation possibilities. The CP3 monolayer exhibits obvious optical anisotropy and very high absorption coefficient (∼24 %) at the visible light range. In addition, CO2 molecule can be stably adsorbed on the surface of CP3 monolayer with the adsorption energy as −2.466 eV aimed to lower the greenhouse effect. Therefore, the CP3 monolayer should be a novel and potential two-dimensional material for applications in optoelectronic, electronic, photovoltaic devices and as the CO2 absorbent.

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