Construction of high-performance catalysts for CO2 hydrogenation to aromatics with the assisted of DFT calculations
Haifeng Tian, Huanhuan He, Peng Gao, Xiaojun Guo, Xiaohua Tang, Yue Chang, Fei Zha, Hongshan Chen
Topics & Concepts
CatalysisAdsorptionSelectivityUreaDensity functional theoryChemistryTandemCrystal (programming language)Chemical engineeringMaterials sciencePhysical chemistryComputational chemistryOrganic chemistryComposite materialComputer scienceEngineeringProgramming languageZeolite Catalysis and SynthesisMembrane Separation and Gas TransportCarbon dioxide utilization in catalysis