Thermodynamic Equilibria in Carbon Nitride Photocatalyst Materials and Conditions for the Existence of Graphitic Carbon Nitride g-C3N4

作者: Tiago Botari , William Paul Huhn , Vincent Wing-hei Lau , Bettina V. Lotsch , Volker Blum

DOI: 10.1021/ACS.CHEMMATER.7B00965

关键词: Density functional theoryChemical engineeringPhase (matter)HeptazineCarbon nitridevan der Waals forceGraphitic carbon nitrideInorganic chemistryDispersion (chemistry)Materials scienceThermodynamic equilibrium

摘要: We quantify the thermodynamic equilibrium conditions that govern the formation of crystalline heptazine-based carbon nitride materials, currently of enormous interest for photocatalytic …

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