Computation Assisted Design and Prediction of Alkali-Metal-Centered B12N12 Nanoclusters for Efficient H2 Adsorption: New Hydrogen Storage Materials
Muhammad Yasir Mehboob, Riaz Hussain, Faiza Younas, Saba Jamil, Malik Muhammad Asif Iqbal, Khurshid Ayub, Nargis Sultana, Muhammad Ramzan Saeed Ashraf Janjua
Topics & Concepts
Hydrogen storageDensity functional theoryAdsorptionHydrogenAlkali metalMaterials scienceHOMO/LUMOChemistryChemical physicsNanotechnologyComputational chemistryPhysical chemistryMoleculeOrganic chemistryHydrogen Storage and MaterialsBoron and Carbon Nanomaterials ResearchSuperconductivity in MgB2 and Alloys