Results 101 to 110 of about 515,767 (328)
Advanced Functional Materials, EarlyView.A laser‐driven strategy enables precise microstructural modulation of Mo₂C, achieving nanoscale grain control (15.6 ± 5 nm) and an ultrahigh grain boundary density (130 µm−1). Moreover, high‐angle grain boundaries enhance active sites, facilitate electron transport, and optimize hydrogen adsorption kinetics, significantly reducing overpotential.
Seok‐Ki Hyeong +13 more
wiley +1 more source
The education of Walter Kohn and the creation of density functional theory [PDF]
, 2014 The theoretical solid-state physicist Walter Kohn was awarded one-half of the 1998 Nobel Prize in Chemistry for his mid-1960's creation of an approach to the many-particle problem in quantum mechanics called density functional theory (DFT).
Zangwill, Andrew
core
DFT-Spread OFDM with Frequency Domain Reference Symbols
, 2017 The fifth generation (5G) wireless standard will support several new use cases and 10 to 100 times the performance of fourth generation (4G) systems.
Bala, Erdem +3 more
core +1 more source
Control of Ferromagnetism of Vanadium Oxide Thin Films by Oxidation States
Advanced Functional Materials, EarlyView.The nonstoichiometric VOx exhibits a distinct ferromagnetic hysteresis loop and demonstrates a high magnetic susceptibility (χ=dMdH$ = \frac{{dM}}{{dH}}\;$∼10). Micromagnetic simulations show the results of the “partial volume fraction ferromagnetic phase model” for VOx/Co/Pt structure.
Kwonjin Park +9 more
wiley +1 more source
Scaling‐Up of Structural Superlubricity: Challenges and Opportunities
Advanced Functional Materials, EarlyView.At increasing length‐scales, structural superlubricity (SSL) faces challenges from physical and chemical energy dissipation pathways. This study reviews recent experimental and theoretical progress on these challenges facing the scaling‐up of SSL, as well as perspectives on future directions for realizing and manipulating macroscale superlubricity ...
Penghua Ying +4 more
wiley +1 more source
Jurnal Kimia Sains dan Aplikasi, 2019 The theoretical study of the use of cyano acid derivatives as electron acceptor groups in pelargonidin as a dye compound in sensitized solar cells (DSSC) was successfully carried out.
Muhamad Imam Muslim, Sudarlin Sudarlin
doaj +1 more source
Advanced Functional Materials, EarlyView.Fluorine‐functionalized organic spacers (2F, 3F, 5F) are investigated to identify as optimal passivation agents for 3D MAPI perovskite solar cells (PSCs). The study highlights how altering fluorine positioning affects defect passivation, low‐dimensional phase (LDP) formation, and stability, emphasizing its role in molecular interactions and offering ...
Ali Semerci +15 more
wiley +1 more source
Quantal Density Functional Theory of Degenerate States
, 2003 The treatment of degenerate states within Kohn-Sham density functional theory (KS-DFT) is a problem of longstanding interest. We propose a solution to this mapping from the interacting degenerate system to that of the noninteracting fermion model whereby
E. H. Lieb +6 more
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Advanced Functional Materials, EarlyView.The phenyl‐linked self‐assembled monolayer exhibits robust intrinsic stability and hole extraction capability compared to the alkyl‐linked counterparts, thus facilitating the device stability with T80 over 1000 h and efficiency of 19.7% in advancing organic solar cells.
Nan Zhang +11 more
wiley +1 more source