S. A. Aal

发表

The effect of anchoring group on the performances of metal-free phthalocyanine and metallophthalocyanine dye/titanium dioxide interface for dye-sensitized solar cells

S. A. Aal, D. Awadh, 2022, Surfaces and Interfaces.

CO adsorption on Pd atoms deposited on MgO, CaO, SrO and BaO surfaces: density functional calculations

A. Shalabi, W. Halim, S. A. Aal, 2008 .

Calculations of the optical properties for FA1:Ag+ centers and CN interactions at the regular and defect sites of the LiI (001) surface : First principle calculations

S. A. Aal, 2007 .

Artificial polarization effects on Fa1:Sr2+ lasers and NO interactions at NaCl (001) surface : First principles calculations

A. Shalabi, W. Halim, S. A. Aal, 2007 .

The role of artificial polarization in FA2:Ca2+ lasers and NO interactions at RbCl (001) surface : An ab initio study

M. A. Kamel, H. Taha, A. Shalabi, 2007 .

The role of oxidation states in F A1 Tl n+ ( n = 1, 3) lasers and CO interactions at the (1 0 0) surface of NaCl: An ab initio study

M. A. Kamel, H. Taha, A. Shalabi, 2006 .

The role of oxidation states in laser light generation, color image formation and adsorbate–substrate interactions. Comparative study of FA:Tl+1, FB:Tl+1, FA:Tl+3 and FB:Tl+3 color centers at the (1 0 0) and (1 1 0) surfaces of AgBr crystal

A. Shalabi, W. Halim, S. A. Aal, 2006 .

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

A. Shalabi, S. A. Aal, A. El-Mahdy, 2002 .

Enhancement of hydrogen storage capacities of Co and Pt functionalized h-BN nanosheet: Theoretical study

S. Aal, S. A. Aal, Aziza K. Alfuhaidi, 2021, Vacuum.

CO catalytic oxidation on Pt-doped single wall boron nitride nanotube: first-principles investigations

S. Aal, S. A. Aal, 2016 .

Spectral, DFT—TDDFT computational investigation and biological studies of transition metal complexes of dehydroacetic acid schiff base

T. Kashar, S. A. Aal, 2021, Journal of the Iranian Chemical Society.

Interaction of O2 and N2 molecules with Au deposited on regular and defective CaO (001) surfaces: Density functional calculations

A. Shalabi, W. Halim, S. A. Aal, 2013 .

Erratum: "Reactivity of boron- and nitrogen-doped carbon nanotubes functionalized by (Pt, Eu) atoms toward O2 and CO: A density functional study"

S. Aal, S. A. Aal, 2016 .

The efficiency of n- and p-type doping silicon carbide nanocage toward (NO2, SO2, and NH3) gases

K. Soliman, S. A. Aal, 2022, Chemical Papers.

Effect of Surface Site on the Spin State for the Interaction of NO with Pd 2 , Rh 2 and PdRh Nanoparticles Supported at Regular and Defective MgO(001) Surfaces

S. A. Aal, 2016 .

Adsorption of NO on Pd and Pd2 supported at the regular and defective CdO (0 0 1) surfaces: Density functional theory study

S. A. Aal, 2014 .

Hydrogen storage reactions on titanium decorated carbon nanocones theoretical study

K. Soliman, H. Taha, A. Shalabi, 2014 .

Artificial polarization effects on Fa1:Sr2+ laser and coadsorption of CN and O at LiCl (001) surface : First principles calculations

S. A. Aal, 2007 .

Magnetic and binding properties of Co-doped single-walled carbon nanotubes: a first principles study

A. Shalabi, S. A. Aal, M. M. Assem, 2012, Journal of Nanoparticle Research.

F2+ laser activity and photographic sensitization at the low coordinated surfaces of AgBr: ab initio calculations

A. Shalabi, S. A. Aal, A. El-Mahdy, 2002 .

Ab initio characterization of Ti decorated SWCNT for hydrogen storage

W. Halim, A. Shalabi, S. A. Aal, 2013 .

High Capacity Hydrogen Storage in Ni Decorated Carbon Nanocone: A First-Principles Study

A. Shalabi, S. A. Aal, K. A. Soliman, 2015 .

Cl2 adsorption on supported alkali metals and on the MgO and CaO (001) supports: A DFT study

A. Shalabi, W. Halim, S. A. Aal, 2008 .

Spin quenching of transition metals deposited on MgO insulator and CdO semiconductor density functional calculations

A. Shalabi, W. Halim, S. A. Aal, 2011 .

PEDOTs–PCnBMs polymer–fullerene BHJ solar cells: Quantum mechanical calculations of photovoltaic and photophysical properties

S. Aal, A. Shalabi, S. A. Aal, 2012 .

Spin quenching of Mn in complexes and CO binding with Mn deposited on MgO and CaO supports: DFT calculations

A. Shalabi, W. Halim, S. A. Aal, 2012 .

Metallophthalocyanine and Metallophthalocyanine–fullerene complexes as potential dye sensitizers for solar cells DFT and TD-DFT calculations

A. Shalabi, S. A. Aal, M. M. Assem, 2012 .