Fig. 5: Structure regulation of C1−xNx. | npj Computational Materials

Fig. 5: Structure regulation of C1−xNx.

From: Design of two-dimensional carbon-nitride structures by tuning the nitrogen concentration

Fig. 5

a The effect of the chemical potential of nitrogen (μN) on the formation energy of C1−xNx. b The effect of the chemical potential of carbon (μC) on the formation energy of C1−xNx. c The effect of nitrogen feedstock on the formation energy of C1−xNx. CH4 is used as the carbon feedstock, N2, NH3, and N2H4 are considered as the nitrogen feedstocks. d The effect of carbon feedstock on the formation energy of C1−xNx; NH3 is used as the nitrogen feedstock, CH4, C2H4, and C2H2 are considered as carbon feedstocks. e Effect of temperature on the formation energy of C1−xNx. Results for temperatures from 500 to 1300 K are presented; f The effect of pressure on the formation energy of C1−xNx. Results for different ratios of pressures of C feedstock to H2 pressures and ratios of pressures of N feedstocks to H2 pressures are presented.

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