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A combined first-principles and machine-learning investigation on the stability, electronic, optical, and mechanical properties of novel C6N7-based nanoporous carbon nitrides

Bohayra Mortazavi, Fazel Shojaei, Alexander V. Shapeev, Xiaoying Zhuang

2022Carbon48 citationsDOI

Topics & Concepts

Materials scienceDensity functional theoryNanoporousCarbon nitrideNanomaterialsGraphitic carbon nitrideElectronic structureNanotechnologySemiconductorGraphyneNitrideStability (learning theory)NanomechanicsComputational chemistryComputer scienceGrapheneOptoelectronicsChemistryMachine learningCatalysisBiochemistryLayer (electronics)PhotocatalysisAtomic force microscopyGraphene research and applications2D Materials and ApplicationsMXene and MAX Phase Materials
A combined first-principles and machine-learning investigation on the stability, electronic, optical, and mechanical properties of novel C6N7-based nanoporous carbon nitrides | Litcius