Metallofullerenes as Robust Single-Atom Catalysts for Adsorption and Dissociation of Hydrogen Molecules: A Density Functional Study

• Sehrish Sarfaraz,
• Muhammad Yar,
• Ajaz Hussain,
• Ahmed Lakhani,
• Adnan Gulzar,
• Muhammad Ans,
• Umer Rashid,
• Masroor Hussain,
• Shabbir Muhammad,
• Imene Bayach,
• Nadeem S. Sheikh,
• Khurshid Ayub

Affiliations

Sehrish Sarfaraz

Department of Chemistry, COMSATS University Islamabad, Abbottabad, Pakistan

Muhammad Yar

Department of Chemistry, COMSATS University Islamabad, Abbottabad, Pakistan

Ajaz Hussain

Institute of Chemical Sciences, Bahauddin Zakariya University, Multan, Pakistan

Ahmed Lakhani

Department of Biomedical and Health Sciences, Calumet College of St. Joseph, Whiting, Indiana, United States

Adnan Gulzar

Center of Theoretical Chemistry, Ruhr-Universitat Bochum, Bochum, Germany

Muhammad Ans

Department of Chemistry, University of Agriculture Faisalabad, Faisalabad, Pakistan

Umer Rashid

Department of Chemistry, COMSATS University Islamabad, Abbottabad, Pakistan

Masroor Hussain

Department of Data Science, Ghulam Ishaq Khan Institute of Engineering Sciences and Technology, Topi, Pakistan

Shabbir Muhammad

Department of Physics, College of Science, King Khalid University, Abha, Saudi Arabia

Imene Bayach

Department of Chemistry, College of Science, King Faisal University, Al-Ahsa, Saudi Arabia

Nadeem S. Sheikh

Chemical Sciences, Faculty of Science, Universiti Brunei Darussalam, Gadong, Brunei Darussalam

Khurshid Ayub

Department of Chemistry, COMSATS University Islamabad, Abbottabad, Pakistan