Effect of manganese dioxide crystal structure on adsorption of SO2 by DFT and experimental study
Ye Xue, Xia Jiang, Lin Chen, Wenju Jiang, Hualin Wang, Wanglai Cen, Shenggui Ma
Topics & Concepts
AdsorptionManganeseDensity functional theoryMoleculeChemistryInorganic chemistryCrystal structureCharge densityMetalCrystal (programming language)Materials scienceComputational chemistryPhysical chemistryCrystallographyOrganic chemistryProgramming languageQuantum mechanicsPhysicsComputer scienceCatalytic Processes in Materials ScienceGas Sensing Nanomaterials and SensorsIndustrial Gas Emission Control