Modulation of Si on microstructure and tribo-mechanical properties of hydrogen-free DLC films prepared by magnetron sputtering
Sign Up to like & getrecommendations! Published in 2020 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2020.145381
Abstract: Abstract Modulation of Si on microstructure and tribomechanical properties of hydrogen-free DLC films was studied by preparing Si-DLC films through a hybrid HiPIMS and middle-frequency magnetron sputtering deposition technique. Atomic force microscope, scanning electron microscope,… read more here.
Keywords: modulation microstructure; properties hydrogen; hydrogen free; dlc ... See more keywords
Structural, elastic and optoelectronic properties of the hydrogen based perovskite compounds: Ab-initio study
Sign Up to like & getrecommendations! Published in 2018 at "Chinese Journal of Physics"
DOI: 10.1016/j.cjph.2017.11.021
Abstract: Abstract The structural, elastic, electronic and optical properties of the cubic CaMH3 (M=Ni and Pd) compounds are investigated using first principle calculations based on the density functional theory (DFT) as implemented in the Wien2k code.… read more here.
Keywords: structural elastic; optoelectronic properties; optoelectronic; properties hydrogen ... See more keywords
The influence of the processing route on the fragmentation of (Nb,Ti)C stringers and its role on mechanical properties and hydrogen embrittlement of nickel based alloy 718
Sign Up to like & getrecommendations! Published in 2021 at "International Journal of Hydrogen Energy"
DOI: 10.1016/j.ijhydene.2021.02.127
Abstract: Abstract The nickel-base superalloy 718 is a precipitation hardened alloy widely used in the nuclear fuel assembly of pressurized water reactors (PWR). However, the alloy can experience failure due to hydrogen embrittlement (HE). The processing… read more here.
Keywords: mechanical properties; influence; hydrogen embrittlement; processing route ... See more keywords
Understanding the quantum mechanical properties of hydrogen bonds in solvated biomolecules from cluster calculations
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2018.05.011
Abstract: Abstract Here we use a combination of molecular mechanics force fields and high level ab initio calculations to study hydrogen bonding interactions in small hybrid peptide-water clusters relevant for larger biological aggregates. Potential energy surfaces… read more here.
Keywords: understanding quantum; hydrogen bonds; properties hydrogen; bonds solvated ... See more keywords
Fundamental Properties of Hydrogen-Functionalized GaSe Monolayer
Sign Up to like & getrecommendations! Published in 2022 at "ACS Omega"
DOI: 10.1021/acsomega.2c03198
Abstract: Functionalization reveals potential opportunities for modifying essential properties and designing materials due to the strong interaction between functionalized atoms and the surface. Among them, hydrogenation possesses such a way to control electronic and optical characteristics.… read more here.
Keywords: hydrogen functionalized; functionalization; properties hydrogen; fundamental properties ... See more keywords
Unusual Properties of Hydrogen-Bonded Ferroelectrics: The Case of Cobalt Formate.
Sign Up to like & getrecommendations! Published in 2022 at "Physical review letters"
DOI: 10.1103/physrevlett.128.077601
Abstract: Hybrid organic-inorganic perovskites is a class of materials with diverse chemically tunable properties and outstanding potential for multifunctionality. We use first-principles simulations to predict room temperature ferroelectricity in a representative of the formate family, [NH_{2}NH_{3}][Co(HCOO)_{3}].… read more here.
Keywords: properties hydrogen; bonded ferroelectrics; hydrogen; ferroelectrics case ... See more keywords