Mechanism of surface hydration of potassium carbonate: Insights from first-principles simulations
Jianquan Lin, Yimin Xiao, Qian Zhao, Wenqi Qu, Haotian Huang, Tiecheng Zhou, Qing Wu, Hongzhi Mao
Topics & Concepts
MoleculeMonolayerHydrogen bondAdsorptionChemistryPotassium carbonateMulliken population analysisIonic bondingChemical physicsDensity functional theoryPhysical chemistryComputational chemistryIonOrganic chemistryBiochemistrynanoparticles nucleation surface interactionsSpectroscopy and Quantum Chemical StudiesElectrostatics and Colloid Interactions