Optical absorption and electronic spectra of chlorophylls a and b L Hedayatifar, E Irani, M Mazarei, S Rasti, YT Azar, AT Rezakhani, ... RSC advances 6 (111), 109778-109785, 2016 | 30 | 2016 |
Theoretical description of efficiency enhancement in DSSCs sensitized by newly synthesized heteroleptic Ru complexes YT Azar, M Payami Physical Chemistry Chemical Physics 17 (44), 29574-29585, 2015 | 23 | 2015 |
In silico insight into ammonia adsorption on pristine and X-doped phosphorene (X= B, C, N, O, Si, and Ni) M Arabieh, YT Azar Applied Surface Science 396, 1411-1419, 2017 | 21 | 2017 |
Adsorption of adenine molecule on χ3 borophene nanosheets: A density functional theory study S Sabokdast, A Horri, YT Azar, M Momeni, M bagher Tavakoli Physica E: Low-dimensional systems and Nanostructures 119, 114026, 2020 | 20 | 2020 |
Adsorption modes of molecular iodine on defected boron nitrides: A DFT study M Arabieh, YT Azar Applied Surface Science 434, 604-612, 2018 | 20 | 2018 |
Low energy optical excitations as an indicator of structural changes initiated at the termini of amyloid proteins KH Jong, YT Azar, L Grisanti, AD Stephens, STE Jones, D Credgington, ... Physical Chemistry Chemical Physics 21 (43), 23931-23942, 2019 | 19 | 2019 |
Theoretical design of Zn-dithiaporphyrins as sensitizer for dye-sensitized solar cells F Hajizadeh, A Reisi-Vanani, YT Azar Current Applied Physics 18 (10), 1122-1133, 2018 | 18 | 2018 |
Detection of nucleobases on borophene nanosheet: A DFT investigation S Sabokdast, A Horri, YT Azar, M Momeni, MB Tavakoli Bioelectrochemistry 138, 107721, 2021 | 17 | 2021 |
Efficiency enhancement of black dye-sensitized solar cells by newly synthesized D–π–A coadsorbents: a theoretical study YT Azar, M Payami Physical Chemistry Chemical Physics 16 (20), 9499-9508, 2014 | 13 | 2014 |
Locality meets machine learning: Excited and ground-state energy surfaces of large systems at the cost of small ones M Babaei, YT Azar, A Sadeghi Physical Review B 101 (11), 115132, 2020 | 12 | 2020 |
Computational study of h-WO3 surfaces as a semiconductor in water-splitting application Z Hajiahmadi, YT Azar Surfaces and Interfaces 28, 101695, 2022 | 11 | 2022 |
A DFT screening of magnetic sensing-based adsorption of NO by M-MOF-74 (M= Mg, Ti, Fe and Zn) YT Azar, MS Lakmehsari, SMK Manzoorolajdad, V Sokhanvaran, Z Ahadi, ... Materials Chemistry and Physics 239, 122105, 2020 | 10 | 2020 |
Unraveling the effect of the defect and adsorbate on the magnetic properties of χ 3 borophene nanoribbons: an in-silico study SF Molaeezadeh, MS Lakmehsari, M Arabieh, YT Azar Physica Scripta 96 (1), 015812, 2020 | 8 | 2020 |
Surface-termination-dependent stability and band alignment in CsPbX3 (X= I, Br, Cl) perovskites: A first-principle study S Nazari, YT Azar, A Doroudi Materials Today Communications 24, 100961, 2020 | 8 | 2020 |
TE; Credgington, D.; Kaminski Schierle, GS; Hassanali, A. Low energy optical excitations as an indicator of structural changes initiated at the termini of amyloid proteins KH Jong, YT Azar, L Grisanti, AD Stephens, S Jones Phys. Chem. Chem. Phys 21 (43), 23931-23942, 2019 | 8 | 2019 |
First-principles calculation of electronic energy level alignment at electrochemical interfaces YT Azar, M Payami Applied Surface Science 412, 335-341, 2017 | 8 | 2017 |
Configuration-tuning of vacancy induced magnetism in 3-D pillared graphene: An ab initio study S Taheri, MS Lakmehsari, MD Ganji, YT Azar Diamond and Related Materials 82, 1-6, 2018 | 7 | 2018 |
DFT exploration of adsorptive performances of borophene to small sulfur-containing gases M Arabieh, YT Azar, H Sepehrian, J Fasihi Journal of Molecular Modeling 28 (6), 146, 2022 | 6 | 2022 |
Understanding hydrogen adsorption in MIL-47-M (M= V and Fe) through density functional theory Z Ahadi, YT Azar, M Shadman Physical Chemistry Research 4 (4), 607-617, 2016 | 5 | 2016 |
EPR parameters of L-α-alanine radicals in aqueous solution: a first-principles study M Janbazi, Y T. Azar, F Ziaie Molecular Physics 116 (14), 1795-1803, 2018 | 4 | 2018 |