Cohesive Properties of Cu-X and Ni-X (In, Sn) Intermetallics: Ab Initio Systematics, Correlations and “Universality” Features
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Phase Equilibria and Diffusion"
DOI: 10.1007/s11669-017-0536-9
Abstract: This paper reports an analysis of the systematics of cohesive properties and equation-of-state parameters for a large number of stable, metastable and hypothetical binary MeaXb type phases formed by Me = Cu, Ni with X = In, Sn. To… read more here.
Keywords: cohesive properties; properties intermetallics; universality; intermetallics initio ... See more keywords
Cohesive Properties of Ionic Liquids Calculated from First Principles.
Sign Up to like & getrecommendations! Published in 2019 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.9b00625
Abstract: Low volatility of ionic liquids (ILs), being one of their most valuable properties, is also the principle factor making reliable measurements of vapor pressures and vaporization (or sublimation) enthalpies of ILs extremely difficult. Alternatively, vaporization… read more here.
Keywords: sublimation; molecular crystals; cohesive properties; ionic liquids ... See more keywords
Bioinspired nucleobase-containing polyelectrolytes as robust and tunable adhesives by balancing the adhesive and cohesive properties
Sign Up to like & getrecommendations! Published in 2023 at "Chemical Science"
DOI: 10.1039/d3sc00697b
Abstract: Supramolecular polymeric adhesives inspired by nature have been strongly pursued by scientists, since they possess strong but dynamic reversible adhesive behaviors concurrently. Optimizing the adhesive and cohesive properties is of vital importance for the fabrication… read more here.
Keywords: supramolecular polymeric; nucleobase containing; adhesion; adhesive cohesive ... See more keywords
Performance of various density-functional approximations for cohesive properties of 64 bulk solids
Sign Up to like & getrecommendations! Published in 2018 at "New Journal of Physics"
DOI: 10.1088/1367-2630/aac7f0
Abstract: Accurate and careful benchmarking of different density-functional approximations (DFAs) represents an important source of information for understanding DFAs and how to improve them. In this work we have studied the lattice constants, cohesive energies, and… read more here.
Keywords: performance various; functional approximations; density functional; cohesive properties ... See more keywords