DOI: 10.1039/d3ra06648g ISSN: 2046-2069
A combined first principles and experimental approach to Bi2WO6
Quazi Shafayat Hossain, Sadiq Shahriyar Nishat, Mohsina Sultana, Tasnim Ahmed Mahi, Shahran Ahmed, M. N. I. Khan, H. N. Das, Muhammad Shahriar Bashar, Umme Sarmeen Akhtar, Sharmin Jahan, Fariha Chowdhury, Khandker Saadat Hossain, Sazzad M. S. Imran, Imtiaz Ahmed- General Chemical Engineering
- General Chemistry
The computationally cheap DFT functional GGA-PBE+Ud+Up with van der Waals force in effect has successfully probed the physical properties of experimentally synthesized Bi2WO6.