首页|Towards the selective growth of two-dimensional ordered CxNy compounds via epitaxial substrate mediation

Towards the selective growth of two-dimensional ordered CxNy compounds via epitaxial substrate mediation

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Two-dimensional(2D)ordered carbon-nitrogen binary compounds(CxNy)show great potential in many fields owing to their diverse structures and outstanding properties.However,the scalable and selective synthesis of 2D CxNy compounds remain a challenge due to the variable C/N stoichiometry induced coex-istence of graphitic,pyridinic,and pyrrolic N species and the competitive growth of graphene.Here,this work systematically explored the mechanism of selective growth of a series of 2D ordered CxNy com-pounds,namely,the g-C3N4,C2N,C3N,and C5N,on various epitaxial substrates via first-principles calcu-lations.By establishing the thermodynamic phase diagram,it is revealed that the individualized surface interaction and symmetry match between 2D CxNy compounds and substrates together enable the selec-tive epitaxial growth of single crystal 2D CxNy compounds within distinct chemical potential windows of feedstock.The kinetics behaviors of the diffusion and attachment of the decomposed feedstock C/N atoms to the growing CxNy clusters further confirmed the feasibility of the substrate mediated selective growth of 2D CxNy compounds.Moreover,the optimal experimental conditions,including the temperature and partial pressure of feedstock,are suggested for the selective growth of targeted 2D CxNy compound on individual epitaxial substrates by carefully considering the chemical potential of carbon/nitrogen as the functional of experimental parameters based on the standard thermochemical tables.This work pro-vides an insightful understanding on the mechanism of selective epitaxial growth of 2D ordered CxNy compounds for guiding the future experimental design.

2D ordered carbon-nitrogen compoundsGrowth mechanismEpitaxial substrateThermodynamic phase diagramFirst-principles calculation

Xiaoshu Gong、Ruikang Dong、Jinlan Wang、Liang Ma

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Key Laboratory of Quantum Materials and Devices of Ministry of Education,School of Physics,Southeast University,Nanjing 211189,China

Suzhou Laboratory,Suzhou 215004,China

National Key R&D Program of ChinaNational Key R&D Program of ChinaNational Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaNational Natural Science Foundation of Chinathe"Shuang Chuang"Talent ProgramMajor Project of Natural Science FoundationFundamental Research Funds for the Central Universities

2021YFA15007032023ZD01207042222230222033002T2321002JSSCRC2021489BK20222007of Jiangsu Province2242023k30028

2024

10.1016/j.scib.2024.04.057

科学通报(英文版)
中国科学院

科学通报(英文版)

CSTPCD
ISSN：1001-6538
年,卷(期)：2024.69(14)
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