In-silico Design of Metal Oxide-Biochar Composites for Enhanced Dibenzothiophene Adsorption: DFT and Statistical Physics Approach

Hammad Khan, Muhammad Arshad, Muhammad Usama,Nabeel Hussain,Mohammad Ilyas Khan, Amina Bibi, Sajjad Hussain, Furqan Khan, Ramesha Tariq

Separation and purification technology（2024）

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In-silico design,DBT adsorption,Biochar composite,Adsorption,DFT calculation

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