Theoretical study on structural properties and hydrogen adsorption performance of C3N doped with monoatomic Al/Li
Zhiyan Gao, Ying Wang, Yue Meng, Bo Xie, Zheming Ni, Shengjie Xia
Topics & Concepts
Hydrogen storageAdsorptionHydrogenDopingMonatomic gasMaterials scienceDensity functional theoryThermal stabilityChemical physicsMoleculePhysical chemistryChemistryCrystallographyThermodynamicsComputational chemistryOrganic chemistryPhysicsOptoelectronicsHydrogen Storage and MaterialsMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials Research