A combined first principles and experimental approach to Bi<sub>2</sub>WO<sub>6</sub>
Quazi Shafayat Hossain, Sadiq Shahriyar Nishat, Mohsina Sultana, Tasnim Ahmed Mahi, Shahran Ahmed, M. N. I. Khan, Harinarayan Das, Muhammad Shahriar Bashar, Umme Sarmeen Akhtar, Sharmin Jahan, Fariha Chowdhury, Khandker Saadat Hossain, Sazzad M. S. Imran, Imtiaz Ahmed
Abstract
The computationally cheap DFT functional GGA-PBE+ U d + U p with van der Waals force in effect has successfully probed the physical properties of experimentally synthesized Bi 2 WO 6 .
Topics & Concepts
van der Waals forceRaman spectroscopyDiffuse reflectance infrared fourier transformMaterials scienceOrthorhombic crystal systemRietveld refinementSpectroscopyMolecular physicsDiffractionChemistryPhysicsOpticsPhotocatalysisMoleculeCatalysisBiochemistryQuantum mechanicsOrganic chemistryAdvanced Condensed Matter PhysicsTransition Metal Oxide NanomaterialsGas Sensing Nanomaterials and Sensors