Geometries, electronic structures, and bonding properties of endohedral Group‐14 Zintl clusters TM@E10 (TM = Fe, Co, Ni; E = Ge, Sn, Pb)
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26838
Abstract: The geometries, electronic structures, and bonding properties of the title endohedral Zintl clusters have been studied by using ab initio calculations. [Fe@Ge10]4− and [Co@Ge10]3− have D5h‐symmetric pentagonal prismatic structure and [Fe@Sn10]4− adopts the C2v‐symmetric structure… read more here.
Keywords: electronic structures; structures bonding; geometries electronic; bonding properties ... See more keywords
Effect of Cooling Mode on Anodic Bonding Properties of Solid Polymer Electrolytes
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Inorganic and Organometallic Polymers and Materials"
DOI: 10.1007/s10904-017-0658-x
Abstract: In this study, a solid polymer electrolyte was prepared via mechanized alloying and hot pressing, and the final product was obtained through different cooling modes. The effects of different cooling modes on the bonding properties… read more here.
Keywords: bonding properties; solid polymer; anodic bonding; polymer electrolytes ... See more keywords
First principles investigation of the structural and bonding properties of hydrated actinide (IV) oxalates, An(C2O4)2·6H2O (An = U, Pu)
Sign Up to like & getrecommendations! Published in 2018 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2018.06.033
Abstract: Abstract The structural and bonding properties of actinide (IV) oxalates, U(C2O4)2·6H2O and Pu(C2O4)2·6H2O, are investigated using the generalized gradient approximation (GGA) to spin-polarized density functional theory (DFT) with van der Waals corrections. The GGA optimized… read more here.
Keywords: bonding properties; oxalates c2o4; spin; structural bonding ... See more keywords
Quantitative Account of the Bonding Properties of a Rubredoxin Model Complex [Fe(SCH3)4]q, q = -2, -1, +2, +3.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.1c00485
Abstract: Iron-sulfur clusters play important roles in biology as parts of electron-transfer chains and catalytic cofactors. Here, we report a detailed computational analysis of a structural model of the simplest natural iron-sulfur cluster of rubredoxin and… read more here.
Keywords: bonding properties; sch3 complexes; bond; quantitative account ... See more keywords
Role of a “surface wettability switch” in inter-fiber bonding properties
Sign Up to like & getrecommendations! Published in 2018 at "RSC Advances"
DOI: 10.1039/c7ra12307h
Abstract: The fiber surface wettability is one of the most important lignocellulosic fiber characteristics affecting the inter-fiber bonding properties of final bio-products. In this study, the surface wettability (evaluated by the surface free energy, surface lignin… read more here.
Keywords: bonding properties; inter fiber; surface; fiber ... See more keywords
Uncommon structural and bonding properties in Ag16B4O10
Sign Up to like & getrecommendations! Published in 2019 at "Chemical Science"
DOI: 10.1039/c9sc05185f
Abstract: Ag16B4O10 has been obtained as a coarse crystalline material via hydrothermal synthesis, and was characterized by X-ray single crystal and powder diffraction, conductivity and magnetic susceptibility measurements, as well as by DFT based theoretical analyses.… read more here.
Keywords: bonding properties; bonding; excess electrons; uncommon structural ... See more keywords
Bonding properties of a superatom system with high-Z elements: insights from energy decomposition analysis
Sign Up to like & getrecommendations! Published in 2020 at "RSC Advances"
DOI: 10.1039/d0ra01644f
Abstract: Superatoms with high-Z elements have novel physicochemical properties, and a comprehensive and thorough view of their bonding properties plays a crucial role in the design of superatoms. Now, energy decomposition analysis shows increasingly prominent performance… read more here.
Keywords: high elements; bonding properties; energy decomposition; energy ... See more keywords
Improvement of the Bonding Properties of Mineral Trioxide Aggregate by Elastin-Like Polypeptide Supplementation
Sign Up to like & getrecommendations! Published in 2019 at "Scanning"
DOI: 10.1155/2019/3484396
Abstract: Introduction Elastin-like polypeptide (ELP) supplementation was previously reported to enhance the physical properties of mineral trioxide aggregate (MTA). The aim of this study was to investigate the effect of ELP supplementation on the bonding properties… read more here.
Keywords: bonding properties; properties mineral; supplementation; mta ... See more keywords
Characterization of the Microstructure and Bonding Properties of Zirconium-Carbon Steel Clad Materials by Explosive Welding
Sign Up to like & getrecommendations! Published in 2020 at "Scanning"
DOI: 10.1155/2020/8881898
Abstract: An investigation was carried out to characterize the microstructure and bonding properties of the zirconium-carbon steel explosive clad. The microstructure and the composition of the clad were characterized using optical microscopy and scanning electron microscopy.… read more here.
Keywords: bonding properties; microstructure bonding; properties zirconium; microscopy ... See more keywords
Investigation on low-velocity impact and interfacial bonding properties of weft-knitted UHMWPE reinforced composites:
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Industrial Textiles"
DOI: 10.1177/1528083720931474
Abstract: In this study, low-velocity impact and interfacial bonding properties of weft-knitted ultra-high-molecular-weight-polyethylene (UHMWPE) filaments reinforced epoxy resin and vinyl ester resin compos... read more here.
Keywords: bonding properties; low velocity; velocity impact; interfacial bonding ... See more keywords
Review of the Interfacial Bonding Properties between Ultrahigh-Performance Concrete and Normal Concrete
Sign Up to like & getrecommendations! Published in 2023 at "Applied Sciences"
DOI: 10.3390/app13116697
Abstract: As a high-quality building material exhibiting excellent toughness and durability, ultrahigh-performance concrete (UHPC) is increasingly being used in the construction industry and as building reinforcement. During the reinforcement of existing concrete structures with UHPC, their… read more here.
Keywords: normal concrete; bonding properties; concrete; ultrahigh performance ... See more keywords