Zobrazeno 1 - 10
of 47 868
pro vyhledávání: '"electronic-properties"'
Publikováno v:
Annals of West University of Timisoara: Physics, Vol 66, Iss 1, Pp 118-141 (2024)
In this present work, we will study the physical properties of a brand new semiconductor material. the structural stability and the electronic properties of Scandium Arsenide (ScAs) and Aluminum Arsenide (AlAs) semiconductors as well as their ternary
Externí odkaz:
https://doaj.org/article/4af27cc6a1784561b91bcd8ba01326bc
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-15 (2024)
Abstract Using first-principles density functional theory (DFT), this study examines the improved chemical catalytic performance and biochemical sensing capabilities of iron (Fe) and gold (Au) nanoclusters decorated flawless γ-graphyne (GPN) as nano
Externí odkaz:
https://doaj.org/article/9bfc48fdc6564683820ba62035d86746
Autor:
Dholon Kumar Paul, Wajiha Tarannum Chaudhry, S M Naimul Mamun, M.L. Rahman, A F M Yusuf Haider, Firoze H. Haque
Publikováno v:
ChemPhysMater, Vol 3, Iss 4, Pp 422-430 (2024)
The emergence of lead-free halide double perovskites exhibiting bandgaps within the visible spectrum represents a substantial advancement in engineering environmentally benign perovskite solar cells. In this work, we investigated the structural, opti
Externí odkaz:
https://doaj.org/article/63a5e825fd8d4b86b14d6d49626f8b39
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-20 (2024)
Abstract In recent years, chalcogenide perovskites have emerged as promising candidates with favorable structural, electrical, and optical properties for photovoltaic applications. This paper explores the structural, electronic, and optical character
Externí odkaz:
https://doaj.org/article/c70729d5435844e1babb33f8350862a4
Autor:
Salah A. M. Elmoselhy
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-32 (2024)
Abstract Nanotubes showed merits including high structural strength-to-weight ratio. However, tubes are less favored regarding stiffness and strength. Nano-I-beams are proposed for improved nano-mechanics. Computationally, the study proposes novel mo
Externí odkaz:
https://doaj.org/article/aef6f5a84b214527ab7b04aa1359dedb
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-12 (2024)
Abstract First-principle calculations based on density functional theory are employed to investigate the impact of graphene insertion on the electronic properties and Schottky barrier of MoS2/metals (Mg, Al, In, Cu, Ag, Au, Pd, Ti, and Sc) without de
Externí odkaz:
https://doaj.org/article/3d8a7be36b9b4046b915b9fc02845cd2
Publikováno v:
Journal of Materials Research and Technology, Vol 32, Iss , Pp 115-123 (2024)
In this study, high-resolution TEM was utilized to provide a detailed characterization of the precipitates in CuCrZr alloys induced by cryogenic treatment. Building on these findings, first-principles computational models were developed to investigat
Externí odkaz:
https://doaj.org/article/f9b2fcb3b17740f1905a37a899bc1177
Publikováno v:
Physics Access, Vol 4, Iss 2, Pp 17-23 (2024)
The harmful effect of lead Pb2+ base materials like PbTiO3 on the environment and human health has raised ecological concerns, which has led to the investigation of lead Pb2+ free ferroelectric materials that are safe for the environment and human
Externí odkaz:
https://doaj.org/article/0ff5f57cbfdb4951bed4a7142b52b68e
Autor:
Muhammad Khuram Shahzad, Shoukat Hussain, Ghulam Abbas Ashraf, Muhammad Raheel Khan, Vineet Tirth, Hassan Alqahtani, Ali Algahtani, Tawfiq Al-Mughanam, Adnan Khalil, Waqar Azeem
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-13 (2024)
Abstract In the modern era, the major problem is solving energy production and consumption. For this purpose, perovskite materials meet these issues and fulfill energy production at a low cost. Density functional theory and the Cambridge Serial Total
Externí odkaz:
https://doaj.org/article/81a7be59860848d5a31be1669e53d71a
Publikováno v:
Next Materials, Vol 6, Iss , Pp 100320- (2025)
This work focus on the investigation of the structural, electronic properties, and optical properties of the alloy (Cd1-xZnx)3As2 using first-principles. The first-principles, couple with the special quasi-random structure (SQS) method, are used to p
Externí odkaz:
https://doaj.org/article/f2ea7d8dd5a84baaaaee7785e5ccf4f0