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Yavar T Azar
Yavar T Azar
Computational and theoretical physics group, Physics and accelerators school, NSTRI
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Cited by
Cited by
Year
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
262016
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
222015
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
212017
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
202020
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
182018
Adsorption modes of molecular iodine on defected boron nitrides: A DFT study
M Arabieh, YT Azar
Applied Surface Science 434, 604-612, 2018
172018
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
162019
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
122014
Detection of nucleobases on borophene nanosheet: A DFT investigation
S Sabokdast, A Horri, YT Azar, M Momeni, MB Tavakoli
Bioelectrochemistry 138, 107721, 2021
112021
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
102020
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
92020
Computational study of h-WO3 surfaces as a semiconductor in water-splitting application
Z Hajiahmadi, YT Azar
Surfaces and Interfaces 28, 101695, 2022
82022
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
72018
First-principles calculation of electronic energy level alignment at electrochemical interfaces
YT Azar, M Payami
Applied Surface Science 412, 335-341, 2017
72017
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
62019
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
52022
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
52020
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
52020
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
42018
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
42016
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Articles 1–20