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Faizan Ullah
Faizan Ullah
COMSATS University Islamabad
Verified email at faizanullah.com - Homepage
Title
Cited by
Cited by
Year
Superalkalis as a source of diffuse excess electrons in newly designed inorganic electrides with remarkable nonlinear response and deep ultraviolet transparency: a DFT study
F Ullah, N Kosar, K Ayub, T Mahmood
Applied Surface Science 483, 1118-1128, 2019
1062019
Theoretical study on a boron phosphide nanocage doped with superalkalis: novel electrides having significant nonlinear optical response
F Ullah, N Kosar, K Ayub, MA Gilani, T Mahmood
New Journal of Chemistry 43 (15), 5727-5736, 2019
792019
Design of novel superalkali doped silicon carbide nanocages with giant nonlinear optical response
F Ullah, N Kosar, MN Arshad, MA Gilani, K Ayub, T Mahmood
Optics & Laser Technology 122, 105855, 2020
762020
Cyclic versus straight chain oligofuran as sensor: A detailed DFT study
H Sajid, F Ullah, K Ayub, T Mahmood
Journal of Molecular Graphics and Modelling 97, 107569, 2020
742020
High performance SACs for HER process using late first-row transition metals anchored on graphyne support: A DFT insight
F Ullah, K Ayub, T Mahmood
International Journal of Hydrogen Energy 46 (76), 37814-37823, 2021
522021
Remarkable second and third order nonlinear optical properties of organometallic C 6 Li 6–M 3 O electrides
F Ullah, K Ayub, T Mahmood
New Journal of Chemistry 44 (23), 9822-9829, 2020
442020
Adsorption mechanism of p-aminophenol over silver-graphene composite: A first principles study
T Jadoon, A Ahsin, F Ullah, T Mahmood, K Ayub
Journal of Molecular Liquids 341, 117415, 2021
412021
Alkaline earth metal decorated phosphide nanoclusters for potential applications as high performance NLO materials; A first principle study
F Ullah, N Kosar, A Ali, T Mahmood, K Ayub
Physica E: Low-dimensional Systems and Nanostructures 118, 113906, 2020
412020
Remarkable static and dynamic NLO response of alkali and superalkali doped macrocyclic [hexa-] thiophene complexes; a DFT approach
H Sajid, F Ullah, S Khan, K Ayub, M Arshad, T Mahmood
RSC Advances 11 (7), 4118-4128, 2021
382021
Superhalogen doping: a new and effective approach to design materials with excellent static and dynamic NLO responses
H Sajid, F Ullah, M Yar, K Ayub, T Mahmood
New Journal of Chemistry 44 (38), 16358-16369, 2020
352020
First row transition metals decorated boron phosphide nanoclusters as nonlinear optical materials with high thermodynamic stability and enhanced electronic properties; A …
S Irshad, F Ullah, S Khan, R Ludwig, T Mahmood, K Ayub
Optics & Laser Technology 134, 106570, 2021
342021
Design of novel inorganic alkaline earth metal doped aluminum nitride complexes (AEM@ Al12N12) with high chemical stability, improved electronic properties and large nonlinear …
F Ullah, N Kosar, A Ali, T Mahmood, K Ayub
Optik 207, 163792, 2020
312020
Demonstrating the Potential of Alkali Metal-Doped Cyclic C6O6Li6 Organometallics as Electrides and High-Performance NLO Materials
S Wajid, N Kosar, F Ullah, MA Gilani, K Ayub, S Muhammad, T Mahmood
ACS omega 6 (44), 29852-29861, 2021
302021
Quantum chemical study on sensing of NH3, NF3, NCl3 and NBr3 by using cyclic tetrapyrrole
M Asif, H Sajid, F Ullah, S Khan, K Ayub, MA Gilani, M Arshad, MS Akhter, ...
Computational and Theoretical Chemistry 1199, 113221, 2021
212021
Theoretical investigation of halides encapsulated Na@ B40 nanocages for potential applications as anodes for sodium ion batteries
N Kosar, F Ullah, K Ayub, U Rashid, M Imran, MN Ahmed, T Mahmood
Materials Science in Semiconductor Processing 121, 105437, 2021
202021
Nonlinear optical response of first-row transition metal doped Al12P12 nanoclusters; a first-principles study
F Ullah, S Irshad, S Khan, MA Hashmi, R Ludwig, T Mahmood, K Ayub
Journal of Physics and Chemistry of Solids 151, 109914, 2021
192021
Olympicene as a high-performance sensor for lung irritants: A dispersion corrected DFT insight
U Sohail, F Ullah, T Mahmood, K Ayub
Materials Science in Semiconductor Processing 144, 106620, 2022
182022
Silver cluster decorated graphene nanoflakes for selective and accurate detection of nitroaniline isomers; DFT calculations
T Jadoon, F Ullah, T Mahmood, K Ayub
Materials Science in Semiconductor Processing 134, 106023, 2021
162021
Adsorption of Industrial Gases (CH4, CO2, and CO) on Olympicene: A DFT and CCSD(T) Investigation
U Sohail, F Ullah, T Mahmood, S Muhammad, K Ayub
ACS omega 7 (22), 18852-18860, 2022
152022
Synthesis, single crystal X-ray, spectroscopic and computational (DFT) studies 2, 1-benzothiazine based hydrazone derivatives
S Ahmad, T Mahmood, M Ahmad, MN Arshad, F Ullah, M Shafiq, S Aslam, ...
Journal of Molecular Structure 1230, 129854, 2021
122021
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