| 1 |
Examination of high-throughput hybrid calculations using coarser reciprocal space meshes
Park JS
Current Applied Physics, 20(3), 379, 2020 |
| 2 |
Tuning the electronic and structural properties of Gd-TiO2-GO nanocomposites for enhancing photodegradation of IC dye: The role of Gd3+ ion
Oppong SOB, Opoku F, Govender PP
Applied Catalysis B: Environmental, 243, 106, 2019 |
| 3 |
Experimental and Computational Design of Highly Active Ce-ZrO2-GO Photocatalyst for Eosin Yellow Dye Degradation: The Role of Interface and Ce3+ Ion
Oppong SOB, Opoku F, Anku WW, Kiarii EM, Govender PP
Catalysis Letters, 149(6), 1633, 2019 |
| 4 |
Insights into the photocatalytic mechanism of mediator-free direct Z-scheme g-C3N4/Bi2MoO6(010) and g-C3N4/Bi2WO6(010) heterostructures: A hybrid density functional theory study
Opoku F, Govender KK, van Sittert CGCE, Govendera PP
Applied Surface Science, 427, 487, 2018 |
| 5 |
Hybrid density functional study on the mechanism for the enhanced photocatalytic properties of the ultrathin hybrid layered nanocomposite g-C3N4/BiOCl
Yao WZ, Zhang JH, Wang YX, Ren FZ
Applied Surface Science, 435, 1351, 2018 |
| 6 |
Sc2O@C-s(126339)-C-92: Di-scandium oxide cluster encapsulated into a large fullerene cage
Gu YX, Li QZ, Li DH, Zhao RS, Zhao X
Chemical Physics Letters, 698, 77, 2018 |
| 7 |
Defect levels at GaAs/Al2O3 interfaces: As-As dimer vs. Ga dangling bond
Miceli G, Pasquarello A
Applied Surface Science, 291, 16, 2014 |
| 8 |
Theoretical studies on magnetic interaction of di-mu-oxo bridged manganese dimers
Soda T, Kitagawa Y, Onishi T, Takano Y, Yoshioka Y, Yamaguchi K
Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, 343, 475, 2000 |
