High-efficient solar-driven nitrogen fixation by modulating the internal electric-field of MOFs via n-site-enhanced charge density difference in organic ligands
Yutong Chen, Qiang Sun, Zhigang Ni, Xuewei Tu, Can Sun, Shouxin Zhu, Xiaofei Duan, Min Jiang, Zuojing Xie, Min Liu, Hui Zheng
Topics & Concepts
Electric fieldNitrogenMaterials scienceDopingDensity functional theoryCharge densityPyrazinePhotocatalysisMetal-organic frameworkChemistryChemical physicsOptoelectronicsComputational chemistryPhysical chemistryOrganic chemistryCatalysisQuantum mechanicsAdsorptionPhysicsAdvanced Photocatalysis TechniquesAmmonia Synthesis and Nitrogen ReductionCovalent Organic Framework Applications