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 theory 、 Chemical engineering 、 Phase (matter) 、 Heptazine 、 Carbon nitride 、 van der Waals force 、 Graphitic carbon nitride 、 Inorganic chemistry 、 Dispersion (chemistry) 、 Materials science 、 Thermodynamic 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 …