DOI: 10.1039/d6na00369a ISSN: 2516-0230
First-principles investigation of the gas-sensing performance of Ti/Sn dual-functionalized carbon nano-onions for atmospheric gases: a DFT study
Tabe N. Ntui, Joy O. Uket, David John, Francisca Bassey, Abosede Adejoke BadejiWe employed density functional theory calculations using Def2-SVP/B3LYP to investigate the gas-sensing performance of Ti/Sn dual-functionalized carbon nano-onions for atmospheric gases. Image generated using AI.