Zobrazeno 1 - 10
of 12
pro vyhledávání: '"Nahed H Teleb"'
Autor:
Hazem Abdelsalam, Mahmoud A.S. Sakr, Mohamed A. Saad, Nahed H. Teleb, Omar H. Abd-Elkader, Qinfang Zhang
Publikováno v:
Results in Physics, Vol 64, Iss , Pp 107953- (2024)
This study investigates the intermolecular interactions between 6-mercaptopurine (MP) and 6-thioguanine (TG) drugs with Fe- and Ni-layered single hydroxides (LSH) using DFT calculations. Hydrogenated Fe and Ni LSH show the best performance as drug ag
Externí odkaz:
https://doaj.org/article/14a69e27ceef4a338a3090c795e33de1
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-13 (2024)
Abstract This study investigates the structural intricacies and properties of single-walled nanotubes (SWNT) and double-walled nanotubes (DWNT) composed of hexagonal boron nitride (BN) and carbon (C). Doping with various atoms including light element
Externí odkaz:
https://doaj.org/article/ad36e0d446d4407aab350430a2920c65
Autor:
Mohamed A. Saad, Mahmoud A.S. Sakr, Nahed H. Teleb, Omar H. Abd-Elkader, Hazem Abdelsalam, Qinfang Zhang
Publikováno v:
Chemical Physics Impact, Vol 8, Iss , Pp 100620- (2024)
In this study, we delve into the structural and electronic intricacies of 2D aluminum nitride quantum dots (AlN-QDs) and their derivatives. Through detailed analysis, we uncover notable variations in bond lengths upon passivation with elements such a
Externí odkaz:
https://doaj.org/article/8a8e6974fa8a4916b1e3bfe9f5d9c428
Autor:
Hazem Abdelsalam, Omar H. Abd-Elkader, Mahmoud A.S. Sakr, Nahed H. Teleb, Yushen Liu, Qinfang Zhang
Publikováno v:
Results in Physics, Vol 61, Iss , Pp 107750- (2024)
Two-dimensional (2D) heterostructures open the door toward novel applications, such as multiterminal transistors, by integrating the properties of the participant materials. Here we construct 2D heterostars from zigzag-triangular graphene (ZTG) and g
Externí odkaz:
https://doaj.org/article/39488abe971545efa9105b14c8b65e56
Publikováno v:
Scientific Reports, Vol 13, Iss 1, Pp 1-12 (2023)
Abstract We employed density functional theory calculations to investigate the electronic and optical characteristics of finite GaAs nanoribbons (NRs). Our study encompasses chemical alterations including doping, functionalization, and complete passi
Externí odkaz:
https://doaj.org/article/a4ada732d05c423a937d39b260cebf63
Autor:
Hazem Abdelsalam, Omar H. Abd-Elkader, Mahmoud A.S. Sakr, Nahed H. Teleb, W. Osman, Wang Zhilong, Qinfang Zhang
Publikováno v:
Results in Physics, Vol 57, Iss , Pp 107412- (2024)
New nanobelts and nanoribbons are built from zigzag-hexagonal graphene quantum dots. Their stability, electronic, optical, and sensing properties are studied using density functional theory calculations. The infrared spectra's real vibrational freque
Externí odkaz:
https://doaj.org/article/3be48b7bfdec4385b3b7a3cdc7dfd82b
Autor:
Omar H. Abd-Elkader, Hazem Abdelsalam, Mahmoud A.S. Sakr, Mohamed M. Atta, Nahed H. Teleb, Qinfang Zhang
Publikováno v:
Results in Chemistry, Vol 7, Iss , Pp 101436- (2024)
The electronic and optical properties and hydrogen storage capacity of doped two-dimensional TiO2 quantum dots are studied using density functional theory computations. The considered dopants are C, S, N, Fe, Ni, and Zn. Temperature stability is conf
Externí odkaz:
https://doaj.org/article/cc86f512d1ac40228336d9a3c55a9b3e
Publikováno v:
Crystals, Vol 14, Iss 2, p 179 (2024)
The electronic, optical, and anticorrosion properties of planer ZnO crystal and quantum dots are explored using density functional theory calculations. The calculations for the finite ZnO quantum dots were performed in Gaussian 16 using the B3LYP/6-3
Externí odkaz:
https://doaj.org/article/983c2f76e10a426e9946b3d22140989e
Publikováno v:
Crystals, Vol 13, Iss 8, p 1215 (2023)
The electronic and optical properties of finite GaS nanoribbons are investigated using density functional theory calculations. The effect of size, edge termination, and chemical modification by doping and edge passivation are taken into account. The
Externí odkaz:
https://doaj.org/article/26c4cb84184f43ae98c002cc922cd156
Publikováno v:
Bulletin of Materials Science. 46
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::aef647eb74798a35b3725a402bba60a1
https://doi.org/10.1007/s12034-023-02891-w
https://doi.org/10.1007/s12034-023-02891-w