Insight into the Isoreticularity of Li-MOFs for the design of low-density solid and quasi-solid electrolytes
P Butreddy, M Wijesingha, S Laws… - Chemistry of …, 2023 - ACS Publications
Isoreticularity in metal organic frameworks (MOFs) allows the design of the framework
structure and tailoring the pore aperture at the molecular level. The optimal pore volume …
structure and tailoring the pore aperture at the molecular level. The optimal pore volume …
A combined first principles and experimental approach to Bi 2 WO 6
QS Hossain, SS Nishat, M Sultana, TA Mahi… - RSC …, 2023 - pubs.rsc.org
Here we synthesized Bi2WO6 (BWO) using both solid-state reaction (SBWO) and
hydrothermal (HBWO-U and HBWO-S) methods. The orthorhombic Pca21 phase purity in all …
hydrothermal (HBWO-U and HBWO-S) methods. The orthorhombic Pca21 phase purity in all …
An ab initio DFT perspective on experimentally synthesized CuBi 2 O 4
Here we present a comprehensive density functional theory (DFT) based ab initio study of
copper bismuth oxide CuBi2O4 (CBO) in combination with experimental observations. The …
copper bismuth oxide CuBi2O4 (CBO) in combination with experimental observations. The …
First-Principles Calculations on Electronic, Optical, and Phonon Properties of γ-Bi2MoO6
The wide band gap γ-Bi2MoO6 (BMO) has tremendous potential in emergent solar
harvesting applications. Here we present a combined experimental–first-principles density …
harvesting applications. Here we present a combined experimental–first-principles density …
First-Principles Modeling of Lattice Dynamics and Direct Electronic Transition in Halide Double Perovskite Cs2NaBiCl6
TA Mahi, IH Sabuj, QS Hossain, SS Nishat… - The Journal of …, 2024 - ACS Publications
The presence of strong anharmonicity poses significant challenges in modeling the lattice
dynamics of tetragonal (I 4/mmm) and cubic (Fm 3̅ m) phases of halide double perovskite …
dynamics of tetragonal (I 4/mmm) and cubic (Fm 3̅ m) phases of halide double perovskite …
Comprehensive First-Principles Modeling of Experimentally Synthesized BiPO4 Polymorphs
Here, we present a theoretical and experimental investigation of hexagonal P 3121 and
monoclinic P 21/n bismuth phosphate BiPO4 (BPO). The Hubbard U-corrected density …
monoclinic P 21/n bismuth phosphate BiPO4 (BPO). The Hubbard U-corrected density …
Combined experimental and first principles look into (Ce, Mo) doped BiVO4
Here we investigated the effects of Ce and Mo doping on hydrothermally synthesized
bismuth vanadate BiVO 4 nanoparticles (NPs). The existence of monoclinic scheelite and …
bismuth vanadate BiVO 4 nanoparticles (NPs). The existence of monoclinic scheelite and …
[HTML][HTML] An experimental look into efficient quaternary Bi5O7I/Bi (IO3) 3/Bi2 (IO4)(IO3) 3/BiOIO3 photocatalytic composite
The prototypical toxic dye rhodamine B (RhB) is perhaps one of the most abundant
pollutants in industrial wastewater. Its efficient photocatalytic degradation through composite …
pollutants in industrial wastewater. Its efficient photocatalytic degradation through composite …
Elevating AI Research at Cognitive Agents and Interaction Lab: A Technical Report on High-Performance Computing Infrastructure
MM Khan - Authorea Preprints, 2023 - techrxiv.org
The Cognitive Agents and Interaction Lab (CAIL) at the University of Dhaka has strategically
developed a focused High-Performance Computing (HPC) facility, underpinning its niche in …
developed a focused High-Performance Computing (HPC) facility, underpinning its niche in …