Superior Selective CO2 Adsorption of C3N Pores: GCMC and DFT Simulations.


Development of high-performance sorbents is extremely significant for CO2 capture due to its increasing atmospheric concentration and impact on environmental degradation. In this work, we develop a new model of C3N pores based on GCMC calculations to describe its CO2 adsorption capacity and selectivity. Remarkably, it exhibits an outstanding CO2 adsorption… (More)
DOI: 10.1021/acsami.7b09648


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