Computer Simulation of Spin Filtration Properties of Zigzag-Edged Octagraphene Nanoribbon Saturated with Hydrogen Atoms
Sign Up to like & getrecommendations! Published in 2020 at "Russian Physics Journal"
DOI: 10.1007/s11182-020-02036-0
Abstract: The paper deals with the properties of octagraphene nanoribbon determined in terms of the local spin density approximation and nonequilibrium Green’s function, namely transmission spectra, current–voltage characteristics (I–V curves), and differential conductivity of the zigzag-edged… read more here.
Keywords: octagraphene nanoribbon; edged octagraphene; spin; hydrogen atoms ... See more keywords
Hydrogen atoms in the diamond vacancy defect. A quantum mechanical vibrational analysis
Sign Up to like & getrecommendations! Published in 2018 at "Carbon"
DOI: 10.1016/j.carbon.2017.12.011
Abstract: Abstract The VH1 defect in diamond (one hydrogen atom saturating one of the four dangling bonds of the carbon atoms surrounding a vacancy) is investigated at the quantum mechanical level by using the periodic supercell… read more here.
Keywords: vacancy; quantum mechanical; hydrogen atoms; atoms diamond ... See more keywords
Generation of excited electronic states at the nonmetal surface by the hydrogen atoms beam
Sign Up to like & getrecommendations! Published in 2017 at "International Journal of Hydrogen Energy"
DOI: 10.1016/j.ijhydene.2017.03.058
Abstract: Abstract The low energy excitation electronic states by the hydrogen atoms at the nonmetal surface are described using several possible mechanisms. The study results of the luminescence excited surface of the phosphor ZnS-Tm during interaction… read more here.
Keywords: nonmetal surface; hydrogen; surface; hydrogen atoms ... See more keywords
Vibrational modes and quantum zero-point energy of hydrogen in ZrH0.0155 and ZrH2
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2019.152832
Abstract: Abstract We report on an inelastic neutron scattering study of the proton dynamics in ZrH0.0155 and e-ZrH2. In particular, we present measurements of the incoherent dynamic structure factor, generalized vibrational density of states, and proton… read more here.
Keywords: zrh0 0155; 0155 zrh2; hydrogen; hydrogen atoms ... See more keywords
Quantifying hydrogen concentration in the vicinity of zirconium hydrides and deformation twins
Sign Up to like & getrecommendations! Published in 2021 at "Journal of The Mechanics and Physics of Solids"
DOI: 10.1016/j.jmps.2020.104287
Abstract: Abstract This study focuses on investigating the effects of the localized stresses that develop during formation of zirconium hydrides on the redistribution of hydrogen atoms in the zirconium matrix. A coupled mass diffusion and crystal… read more here.
Keywords: hydrogen; zirconium hydrides; quantifying hydrogen; zirconium ... See more keywords
Ionization of hydrogen atoms by 75 keV proton and antiproton impacts
Sign Up to like & getrecommendations! Published in 2017 at "Results in physics"
DOI: 10.1016/j.rinp.2017.07.033
Abstract: Abstract The second Born approximation has been applied to calculate the triple and double differential cross sections for ionization of hydrogen atoms by 75 keV proton and antiproton impacts. The closure relation is used to perform… read more here.
Keywords: ionization hydrogen; kev proton; hydrogen atoms; atoms kev ... See more keywords
Kinetic Studies of Hantzsch Ester and Dihydrogen Donors Releasing Two Hydrogen Atoms in Acetonitrile
Sign Up to like & getrecommendations! Published in 2022 at "ACS Omega"
DOI: 10.1021/acsomega.2c02264
Abstract: In this work, kinetic studies on HEH2, 2-benzylmalononitrile, 2-benzyl-1H-indene-1,3(2H)-dione, 5-benzyl-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-benzyl-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 2-(9H-fluoren-9-yl)malononitrile, ethyl 2-cyano-2-(9H-fluoren-9-yl)acetate, diethyl 2-(9H-fluoren-9-yl)malonate, and the derivatives (28 XH2) releasing two hydrogen atoms were carried out. The thermokinetic parameters ΔG⧧° of 28 dihydrogen… read more here.
Keywords: two hydrogen; hydrogen; hydrogen atoms; kinetic studies ... See more keywords
Hot Hydrogen Atom Irradiation of Protonated/Deprotonated Peptide in an Ion Trap Facilitates Fragmentation through Heated Radical Formation.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.1c11081
Abstract: Tandem mass spectrometry with fragmentation involving the reaction with hydrogen atoms is expected to be useful for the analysis of peptides and proteins. In general, hydrogen atoms preferentially react with odd-electron radicals. The attachment of… read more here.
Keywords: reaction; fragmentation; peptide ions; hydrogen ... See more keywords
Density functional theory study of the role of benzylic hydrogen atoms in the antioxidant properties of lignans
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DOI: 10.1038/s41598-018-30860-5
Abstract: Antioxidants are a diverse group of chemicals with proven health benefits and thus potential preventive medicine and therapeutic applications. While most of these compounds are natural products, determining their mechanism of radical scavenging and common… read more here.
Keywords: density functional; hydrogen; antioxidant properties; radical scavenging ... See more keywords
Chirp-dependent ionization of hydrogen atoms in the presence of super-intense laser pulses
Sign Up to like & getrecommendations! Published in 2021 at "Chinese Physics B"
DOI: 10.1088/1674-1056/ac192c
Abstract: We perform a theoretical study on dynamic interference in single photon ionization of ground state hydrogen atoms in the presence of a super-intense ultra-fast chirped laser pulse of different chirp types (equal-power and equal-FWHM laser… read more here.
Keywords: laser pulses; ionization; atoms presence; hydrogen atoms ... See more keywords
Direct observation of individual hydrogen atoms at trapping sites in a ferritic steel
Sign Up to like & getrecommendations! Published in 2017 at "Science"
DOI: 10.1126/science.aal2418
Abstract: Heavy hydrogen gets frozen in place Hydrogen embrittlement contributes to the failure of steel in a wide variety of everyday applications. Various strategies to mitigate hydrogen embrittlement, such as adding carbides into the steel, are… read more here.
Keywords: cryogenic transfer; hydrogen; ferritic steel; steel ... See more keywords