Results 101 to 110 of about 144,953 (251)

Exploring Electronic States and Ultrafast Electron Dynamics in AlInP Window Layers: The Role of Surface Reconstruction

open access: yesAdvanced Functional Materials, EarlyView.
This study examines the surface characteristics of AlInP (001), crucial for advanced solar cells and photoelectrochemical devices. Using theoretical modeling and experiments, it identifies how phosphorus‐rich and indium‐rich surfaces create mid‐gap states that pin the Fermi level and influence ultrafast electron dynamics.
Mohammad Amin Zare Pour   +11 more
wiley   +1 more source

Ab initio study, investigation of NMR shielding tensors, NBO and vibrational frequency of catechol thioethers

open access: yesBulletin of the Chemical Society of Ethiopia, 2010
The electrochemical oxidation of dopamine and 3,4-dihydroxymethamphetamine (HHMA) has been studied in the presence of GSH and cysteine as a nucleophile.
A. Bagheri Gh
doaj  

Effect of dipole polarizability on positron binding by strongly polar molecules [PDF]

open access: yes, 2015
A model for positron binding to polar molecules is considered by combining the dipole potential outside the molecule with a strongly repulsive core of a given radius.
Gribakin, G. F., Swann, A. R.
core   +2 more sources

Multi‐Pathway Upconversion Emission in Symmetry‐Broken Nanocavities: Broadband Multiresonant Enhancement and Anti‐Correlated Interfacial Sensitivity

open access: yesAdvanced Functional Materials, EarlyView.
Symmetry‐broken plasmonic nanoantenna arrays achieve broadband multiresonant enhancement of second harmonic generation (SHG), third harmonic generation (THG), and upconversion photoluminescence (UCPL), under femtosecond laser excitation across the near‐infrared range (1000–1600 nm).
Elieser Mejia   +9 more
wiley   +1 more source

Molecular Structure of Heterocycles: 6. Solvent Effects on the 17O Nmr Chemical Shifts of 5-Trichloromethylisoxazoles

open access: yesJournal of the Brazilian Chemical Society, 2001
A multilinear-regression analysis using the Kamlet-Abboud-Taft (KAT) solvatochromic parameters in order to elucidate and quantify the solvent effects on the 17O chemical shifts of three 5-trichloromethylisoxazoles [(1a) non-, (1b) 3-methyl- and (1c) 4 ...
Martins Marcos A. P.   +7 more
doaj  

FT-IR, FT-Raman, UV–Visible, NMR, DFT and molecular docking investigation of 1-(phenyl (piperidin-1-yl) methyl) naphthalene-2-ol

open access: yesResults in Chemistry, 2021
1-(Phenyl(piperidin-1-yl)methyl)naphthalene-2-ol was synthesized and characterized utilizing spectroscopic techniques (FT-IR, FT-Raman, UV–Visible, NMR, Mass and CHNS analysis).
P. Rajamani   +4 more
doaj  

Phase transitions to dipolar clusters and charge density waves in high Tc superconductors [PDF]

open access: yes, 2016
We show that doping of hole charge carriers leads to formation of electric dipolar clusters in cuprates. They are created by many-body interactions between the dopant ion outside and holes inside the CuO planes. Because of the two-fold degeneracy holes in the CuO plane cluster into four-particles resonance valence bond plaquettes bound with dopant ions.
arxiv   +1 more source

Demystifying Emergence [PDF]

open access: yes, 2016
Are the special sciences autonomous from physics? Those who say they are need to explain how dependent special science properties could feature in irreducible causal explanations, but that’s no easy task.
Yates, David
core   +1 more source

Discovery of an Intrinsic Antiferromagnetic Semiconductor EuSc2Te4 With Magnetism‐Driven Nonlinear Transport

open access: yesAdvanced Functional Materials, EarlyView.
EuSc₂Te₄, an antiferromagnetic semiconductor, exhibits a nonlinear Hall effect (NLHE) characterized by quadratic current–voltage behavior. Combined experimental and theoretical studies reveal that this NLHE is linked to its antiferromagnetism and involves contributions from the quantum metric.
Seng Huat Lee   +15 more
wiley   +1 more source

ExoMol line lists XVIII. The high temperature spectrum of VO [PDF]

open access: yes, 2016
An accurate line list, VOMYT, of spectroscopic transitions is presented for hot VO. The 13 lowest electronic states are considered. Curves and couplings are based on initial {\it ab initio} electronic structure calculations and then tuned using available
McKemmish, Laura K.   +2 more
core   +2 more sources

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