In Silico Designing of <b>Mg<sub>12</sub>O<sub>12</sub></b> Nanoclusters with a Late Transition Metal for NO<sub>2</sub> Adsorption: An Efficient Approach toward the Development of NO<sub>2</sub> Sensing Materials
Shahid Hussain, Shahzad Ali Shahid Chatha, Abdullah Ijaz Hussain, Riaz Hussain, Muhammad Yasir Mehboob, Asim Mansha, Nabeel Shahzad, Khurshid Ayub
Abstract
sensing materials.
Topics & Concepts
NanoclustersAdsorptionMaterials scienceNanocagesMetalTransition metalDensity functional theoryBand gapNanotechnologyInorganic chemistryPhysical chemistryComputational chemistryChemistryOrganic chemistryMetallurgyOptoelectronicsCatalysisGas Sensing Nanomaterials and SensorsLuminescence Properties of Advanced MaterialsZnO doping and properties