Significant Increase in the Dipole Moment of Graphene on Functionalization: DFT Calculations and Molecular Dynamics Simulations

• Madhur Babu Singh,
• Pallavi Jain,
• Faruq Mohammad,
• Prashant Singh,
• Indra Bahadur,
• Oyirwoth P. Abedigamba

Affiliations

Madhur Babu Singh

Department of Chemistry, Atma Ram Sanatan Dharma College, University of Delhi, Delhi, India

Pallavi Jain

Department of Chemistry, SRM Institute of Science & Technology, NCR Campus, Ghaziabad, India

Faruq Mohammad

Department of Chemistry, College of Science, King Saud University, Riyadh, Kingdom of Saudi Arabia

Prashant Singh

Department of Chemistry, Atma Ram Sanatan Dharma College, University of Delhi, Delhi, India

Indra Bahadur

Department of Chemistry, Material Science, Innovation and Modelling (MaSIM) Research Focus Area, North-West University (Mafikeng Campus), Mmabatho, South Africa

Oyirwoth P. Abedigamba

Department of Physics, Kyambogo University, Kampala, Uganda