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Updated: Sep 25, 2025
Assessment of Boron Doped Diamond Electrode Quality and Application to In Situ Modification of Local pH by Water Electrolysis
Published on: January 6, 2016
Tunable electron property induced by B-doping in g-C3N4
Bo Yang1, Hongxia Bu2, Xiaobiao Liu3
1School of Science, Shandong Jianzhu University Jinan 250101 China yangbo19@sdjzu.edu.cn.
Abstract:
Graphitic carbon nitrides are a research hotspot of two-dimensional (2D) materials, which attract more and more attention from researchers. Topological properties are a focus in graphitic carbon nitrides materials. Using first-principles calculations, we modified the g-C3N4 (formed by tri-s-triazine) by B atoms, proposing a novel two-dimensional monolayer, g-C6N7B, which showed excellent stability verified by positive phono modes, molecular dynamic simulations and mechanical criteria. The valence band and conduction band touch at the Γ point. Interestingly, g-C6N7B is topologically nontrivial, because the valance and conduction band can be gapped by the spin-orbit coupling (SOC) effect associated with robust gapless edge states. Additionally, molecular dynamic simulations indicate that g-C6N7B will still maintain good geometry structure when the temperature is as high as 1500 K. The flexibility of g-C6N7B is confirmed by its elastic constants and Young's moduli. This work opens an avenue for graphitic carbon nitride materials with topological properties.
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