Results 41 to 50 of about 1,552,843 (326)

Ionic Bonds Control Ferroelectric Behavior in Wurtzite Nitrides [PDF]

open access: yesarXiv, 2022
Ferroelectricity enables key integrated technologies from non-volatile memory to precision ultrasound. Wurtzite ferroelectric Al1-xScxN has recently attracted attention because of its robust ferroelectricity and Si process compatibility in addition to being the first known ferroelectric wurtzite.
arxiv  

Hydrogen-Bonding Interactions in Pyridinium-Based Ionic Liquids and Dimethyl Sulfoxide Binary Systems: A Combined Experimental and Computational Study

open access: yesACS Omega, 2018
The addition of highly polar and aprotic cosolvents to ionic liquids has proven to considerably decrease the viscosity of the solution and improve mass transfer in many chemical reactions.
Yaqin Zhang   +3 more
semanticscholar   +1 more source

Covalent bond shortening and distortion induced by pressurization of thorium, uranium, and neptunium tetrakis aryloxides

open access: yesNature Communications, 2022
The properties of actinide complexes depend on the ionic versus covalent nature of the bonds. Here, the authors report that pressure can distort actinide-oxygen bonding; differences seen for Th, U and Np result from the decreasing size of the atoms.
Jacob J. Shephard   +8 more
doaj   +1 more source

Charge dynamics in the Mott insulating phase of the ionic Hubbard model [PDF]

open access: yesPhys. Rev. B 69, 041101(R) (2004), 2003
We extend to charge and bond operators the transformation that maps the ionic Hubbard model at half filling onto an effective spin Hamiltonian. Using these operators we calculate the amplitude of the charge density wave in different dimensions. In one dimension, the charge-charge correlations at large distance d decay as 1/(d^3 ln^{3/2}d), in spite of ...
arxiv   +1 more source

Oxygen Donor Stabilized Alkaline Earth Metal Iodides

open access: yesCHIMIA, 2003
Alkaline earth metal iodides show ionic behavior in water, but their bonding situation is not that clear in less polar solvents. The alkaline earth metal iodide adducts, i.e. [MI2(thf)5](M = Sr and Ba), [CaI2(L)4] (L = thf, H2O), [Ba(OH)I(H2O)4]
Katharina M. Fromm
doaj   +1 more source

Monovalent impurities on graphene: midgap states and migration barriers [PDF]

open access: yesPhys. Rev. B 80, 085428 (2009), 2009
Monovalent impurities on graphene can be divided into ionically and covalently bond impurities. The covalent impurities cause universal midgap states as the carbon atom next to the impurity is effectively decoupled from the graphene pi-bands. The electronic structure of graphene suppresses migration of these impurities and making the universal midgap ...
arxiv   +1 more source

Quantum Chemical Modeling of Hydrogen Bonding in Ionic Liquids

open access: yesTopics in current chemistry, 2017
Hydrogen bonding (H-bonding) is an important and very general phenomenon. H-bonding is part of the basis of life in DNA, key in controlling the properties of water and ice, and critical to modern applications such as crystal engineering, catalysis ...
P. Hunt
semanticscholar   +1 more source

Revisiting the Nature of Chemical Bonding in Chalcogenides to Explain and Design their Properties

open access: yesAdvances in Materials, 2022
Quantum chemical bonding descriptors have recently been utilized to design materials with tailored properties. Their usage to facilitate a quantitative description of bonding in chalcogenides as well as the transition between different bonding mechanisms
M. Wuttig   +5 more
semanticscholar   +1 more source

Refining the NaV1.7 pharmacophore of a class of venom‐derived peptide inhibitors via a combination of in silico screening and rational engineering

open access: yesFEBS Letters, EarlyView.
Venom peptides have shown promise in treating pain. Our study uses computer screening to identify a peptide that targets a sodium channel (NaV1.7) linked to chronic pain. We produced the peptide in the laboratory and refined its design, advancing the search for innovative pain therapies.
Gagan Sharma   +8 more
wiley   +1 more source

Exploring the Effect of Water Content and Anion on the Pretreatment of Poplar with Three 1-Ethyl-3-methylimidazolium Ionic Liquids

open access: yesMolecules, 2020
We report on the pretreatment of poplar wood with three different 1-ethyl-3-methylimidazolium ionic liquids, [EMim][OAc], [EMim][MeSO3], and [EMim][HSO4], at varying water contents from 0–40 wt% at 100 °C.
Florence J. V. Gschwend   +2 more
doaj   +1 more source

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