Safaa Abdelaal
Safaa Abdelaal
professor of chemistry
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TitleCited byYear
F2+ laser activity and photographic sensitization at the low coordinated surfaces of AgBr: ab initio calculations
AS Shalabi, TF El-Essawy, MM Assem, SA Aal, AM El-Mahdy
Physica B: Condensed Matter 315 (1-3), 13-28, 2002
202002
Ab initio characterization of Ti decorated SWCNT for hydrogen storage
AS Shalabi, SA Aal, MM Assem, WSA Halim
International Journal of Hydrogen Energy 38 (1), 140-152, 2013
192013
Type I FA (Rb+, Cs+) and II FA (Li+, Na+) tunable laser activities and donor-acceptor properties of O and O− at KCl (001) surface: first principle calculations
AS Shalabi, TF El-Essawy, MM Assem, SA Aal, AM El-Mahdy
Journal of Physics and Chemistry of Solids 63 (5), 749-758, 2002
192002
Adsorption of He and Ne on regular, irregular and defected surfaces of LiH crystal: ab initio study
AS Shalabi, MM Assem, S Abdel-Aal, MA Kamel, MMA El-Rahman
Solid state communications 111 (12), 735-740, 1999
181999
FA (Ga+, In+, Tl+) tunable laser activity and interaction of halogen atoms (F, Cl, Br, I, At) at the (001) surface of KCl crystal: ab initio calculations
AS Shalabi, TF El-Essawy, MM Assem, S Abdel-Aal, AM El-Mahdy
Current Applied Physics 2 (2), 97-105, 2002
172002
CO catalytic oxidation on Pt-doped single wall boron nitride nanotube: first-principles investigations
SA Aal
Surface Science 644, 1-10, 2016
162016
Hydrogen storage reactions on titanium decorated carbon nanocones theoretical study
AS Shalabi, HO Taha, KA Soliman, SA Aal
Journal of Power Sources 271, 32-41, 2014
162014
Metallophthalocyanine and metallophthalocyanine–fullerene complexes as potential dye sensitizers for solar cells DFT and TD-DFT calculations
AS Shalabi, SA Aal, MM Assem, KA Soliman
Organic Electronics 13 (10), 2063-2074, 2012
122012
CO adsorption on Pd atoms deposited on MgO, CaO, SrO and BaO surfaces: density functional calculations
WSA Halim, SA Aal, AS Shalabi
Thin Solid Films 516 (12), 4360-4365, 2008
112008
The role of oxidation states in FA1 Tln+ (n= 1, 3) lasers and CO interactions at the (1 0 0) surface of NaCl: An ab initio study
AS Shalabi, SA Aal, MA Kamel, HO Taha, HY Ammar, WSA Halim
Chemical physics 328 (1-3), 8-16, 2006
112006
Spin quenching of transition metals deposited on MgO insulator and CdO semiconductor density functional calculations
AS Shalabi, SA Aal, WS Abdel Halim, MS Ghonaim
International Journal of Quantum Chemistry 111 (10), 2444-2453, 2011
62011
The role of artificial polarization in FA2: Ca2+ lasers and NO interactions at RbCl (0 0 1) surface: An ab initio study
AS Shalabi, SA Aal, MA Kamel, HO Taha, WSA Halim
Physica B: Condensed Matter 387 (1-2), 6-17, 2007
62007
Spin quenching of Mn in complexes and CO binding with Mn deposited on MgO and CaO supports: DFT calculations
AS Shalabi, S Abdel Aal, WS Abdel Halim, N Abdullah
International Journal of Quantum Chemistry 112 (15), 2743-2751, 2012
52012
Cl2 adsorption on supported alkali metals and on the MgO and CaO (001) supports: A DFT study
SA Aal, WSA Halim, AS Shalabi
Solid State Communications 148 (9-10), 464-468, 2008
52008
Artificial polarization effects on FA1: Sr2+ lasers and NO interactions at NaCl (0 0 1) surface: First principles calculations
AS Shalabi, SA Aal, WSA Halim, HY Ammar
Journal of Molecular Structure: THEOCHEM 823 (1-3), 47-58, 2007
52007
The effect of ruthenium on the performance of porphyrin dye and porphyrin–fullerene dyad solar cells predicted by DFT and TD-DFT calculations
AS Shalabi, S Abdel Aal, AM El Mahdy
Molecular Simulation 39 (9), 689-699, 2013
42013
Magnetic and binding properties of Co-doped single-walled carbon nanotubes: a first principles study
AS Shalabi, MM Assem, SA Aal, KA Soliman
Journal of Nanoparticle Research 14 (6), 892, 2012
42012
Reactivity of boron- and nitrogen-doped carbon nanotubes functionalized by (Pt, Eu) atoms toward O2 and CO: A density functional study
S Abdel Aal
International Journal of Modern Physics C 27 (07), 1650075, 2016
32016
Calculations of the optical properties for FA1: Ag+ centers and CN interactions at the regular and defect sites of the LiI (0 0 1) surface: First principle calculations
SA Aal
Physica B: Condensed Matter 392 (1-2), 200-212, 2007
32007
High Capacity Hydrogen Storage in Ni Decorated Carbon Nanocone:A First-Principles Study
KAS S. Abdel Aal*, A. S. Shalabi
Journal of Quantum Information Science 5, 134-149, 2015
22015
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