Zobrazeno 1 - 10
of 1 317
pro vyhledávání: '"AIMD"'
Publikováno v:
Results in Optics, Vol 16, Iss , Pp 100694- (2024)
Silicon, traditionally known as an indirect band gap semiconductor, unveils intriguing properties at the nanoscale, stemming from deviations from k-conservation rules within nanostructures. In our study, we scrutinized four hydrogenated Si 0D-nanostr
Externí odkaz:
https://doaj.org/article/0a04dc0b67214a06a6841ecadfc80f05
Autor:
Jieqiong Yan, Xinchen Xu, Gaoning Shi, Yaowei Wang, Chaohong Guan, Yuyang Chen, Yao Yang, Tao Ying, Hong Zhu, Qingli Tang, Xiaoqin Zeng
Publikováno v:
Materials Genome Engineering Advances, Vol 2, Iss 2, Pp n/a-n/a (2024)
Abstract The corrosion susceptibility of magnesium (Mg) alloys presents a significant challenge for their broad application. Although there have been extensive experimental and theoretical investigations, the corrosion mechanisms of Mg alloys are sti
Externí odkaz:
https://doaj.org/article/702058c738024cbf8f5f8231e27b237d
Publikováno v:
Chemical Physics Impact, Vol 8, Iss , Pp 100453- (2024)
Solvation energy, defined as the Gibbs energy change accompanying the transfer of a molecule or an atom from vacuum to the solution, plays a crucial role in understanding molecular interactions. In this study, we explore the interaction of prontosil,
Externí odkaz:
https://doaj.org/article/e94a9fdab81342fd91d0c6dabfc861f2
Publikováno v:
Chemical Physics Impact, Vol 8, Iss , Pp 100514- (2024)
In this investigation, we are comparing the interactions mainly the hydrogen bond interaction between two complexes MA-CF and MA-HFIP on theoretical grounds. For this the stable conformers of MA, CF and HFIP and their respective complexes MA-CF and M
Externí odkaz:
https://doaj.org/article/c732c31f9ea64445918a62deaef55868
Autor:
Elham S. Aazam, Renjith Thomas
Publikováno v:
Chemical Physics Impact, Vol 8, Iss , Pp 100404- (2024)
Lamotrigine is a medication used to treat epilepsy and help stabilize mood in individuals with bipolar disorder. Epilepsy includes different types of seizures, such as focal seizures, tonic-clonic seizures, and Lennox-Gastaut syndrome, and Lamotrigin
Externí odkaz:
https://doaj.org/article/e78cb78701974733bc7f348b1e7f44e2
Publikováno v:
Journal of Advanced Ceramics, Vol 12, Iss 12, Pp 2284-2299 (2023)
In this study, the effects of Mg on the formation of He bubbles and diffusion behavior of He atoms in cubic silicon carbide (3C–SiC) were investigated by irradiation and annealing experiments as well as first-principles calculations. TEM results in
Externí odkaz:
https://doaj.org/article/fc605cf681114218a8dc185f642a29a6
Publikováno v:
Molecules, Vol 29, Iss 18, p 4362 (2024)
The decomposition mechanisms of Fe(EDTA)− and Fe(EDTMP)− complexes, widely used in various industrial applications, were investigated through a theoretical approach. Despite their structural similarities, the phosphonic acid and carboxylic acid g
Externí odkaz:
https://doaj.org/article/3d4e94e70f2d4c058727a32429d94f58
Publikováno v:
Materials & Design, Vol 240, Iss , Pp 112832- (2024)
The demand for advanced materials capable of withstanding extreme high-temperature conditions has led to the development of novel High-Entropy Alloys (HEAs). Recent works indicate that forming a CrTaO4 protection layer gives HEAs excellent long-term
Externí odkaz:
https://doaj.org/article/629bd135311c49e3a2504efb67847c0d
Autor:
Kraus, Peter1 peter.kraus@theochem.uni-hannover.de, Frank, Irmgard1
Publikováno v:
International Journal of Quantum Chemistry. 9/5/2017, Vol. 117 Issue 17, pn/a-N.PAG. 11p.
Publikováno v:
Applied Sciences, Vol 14, Iss 15, p 6586 (2024)
Extensive research on transition metal perovskite oxides as electrodes in solid oxide cells (SOC) has highlighted the potential ability of Fe-based perovskite oxides to catalyze oxygen reduction/evolution reactions (ORR/OER). The layered perovskite-t
Externí odkaz:
https://doaj.org/article/a0cc1d8f4c5f412b9db81abada6f719c