| 1 |
Diphenylamine-based hole-transporting materials for excessive-overall performance perovskite solar cells: Insights from DFT calculations
|
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
|
| 2 |
CO oxidation mediated by Al-doped ZnO nanoclusters: A first-principles investigation
|
International Journal of Quantum Chemistry
|
| 3 |
Carbon-doped boron nitride nanosheets as highly sensitive materials for detection of toxic NO and NO2 gases: A DFT study
|
VACUUM
|
| 4 |
Adsorption of formamide over pristine and Al-doped boron nitride nanosheets: A dispersion-corrected DFT study
|
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
|
| 5 |
A DFT study of single-atom catalysis of CO oxidation using carbon-embedded hexagonal boron nitride monolayer
|
CHEMISTRYSELECT
|