Predicting the solvent effect on crystal morphology via quantum mechanical methods
Sign Up to like & getrecommendations! Published in 2025 at "AIChE Journal"
DOI: 10.1002/aic.18766
Abstract: The solvent is the most important external influence on crystal morphology. Correctly interpreting solvent effects is essential to engineer the desired crystal morphology with specific properties. In this study, we propose a method based on… read more here.
Keywords: crystal morphology; effect crystal; solvent effect; quantum mechanical ... See more keywords
Toward the defect engineering of energetic materials: A review of the effect of crystal defects on the sensitivity
Sign Up to like & getrecommendations! Published in 2022 at "Chemical Engineering Journal"
DOI: 10.1016/j.cej.2021.132310
Abstract: Abstract Defects always exist in the applied energetic materials (EMs) and have a vital influence on ignition mechanism and further sensitivity. The defect engineering of EMs aims to obtain the understandings of defect effects on… read more here.
Keywords: energetic materials; engineering; effect crystal; sensitivity ... See more keywords
System size effect on crystal nuclei morphology in supercooled metallic melt
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Crystal Growth"
DOI: 10.1016/j.jcrysgro.2019.125266
Abstract: Abstract We present a molecular dynamics (MD) study of size effect on the crystal nuclei geometry, formation and growth in supercooled tantalum film. The process is studied in a set of MD trajectories that are… read more here.
Keywords: system; crystal nuclei; effect crystal; size effect ... See more keywords
Unravelling the effect of crystal lattice compression on the supercapacitive performance of hydrothermally grown nanostructured hollandite α-MnO2 induced by incremental growth time
Sign Up to like & getrecommendations! Published in 2024 at "Scientific Reports"
DOI: 10.1038/s41598-024-70111-4
Abstract: Manganese oxide (α-MnO2) nanoparticles are highly recognised for their use in supercapacitor applications. This study demonstrates the successful synthesis of flower-like and nanorods hollandite α-MnO2 by a simple one-pot hydrothermal technique at various reaction times.… read more here.
Keywords: spectroscopy; effect crystal; hollandite mno2; crystal lattice ... See more keywords
Effect of crystal defects on the selectivity of a bulk Cu-Zn alloy for electrocatalytic CO2 reduction
Sign Up to like & getrecommendations! Published in 2025 at "Journal of Materials Chemistry A"
DOI: 10.1039/d5ta04297f
Abstract: The elemental composition and crystal structure of catalysts are important factors affecting the product selectivity in electrochemical CO₂ reduction reaction (CO₂RR). It remains challenging to tune the product selectivity by... read more here.
Keywords: crystal; effect crystal; defects selectivity; crystal defects ... See more keywords
Substituent position effect on the crystal structures of N-phenyl-2-phthalimidoethanesulfonamide derivatives.
Sign Up to like & getrecommendations! Published in 2018 at "Acta crystallographica. Section C, Structural chemistry"
DOI: 10.1107/s2053229617017442
Abstract: In order to determine the impact of different substituents and their positions on intermolecular interactions and ultimately on the crystal packing, unsubstituted N-phenyl-2-phthalimidoethanesulfonamide, C16H14N2O4S, (I), and the N-(4-nitrophenyl)-, C16H13N3O6S, (II), N-(4-methoxyphenyl)-, C16H16N3O6S, (III), and N-(2-ethylphenyl)-,… read more here.
Keywords: phenyl phthalimidoethanesulfonamide; position effect; intermolecular hydrogen; effect crystal ... See more keywords
Effect of the Crystal Structure on the Electrical Properties of Thin-Film PZT Structures
Sign Up to like & getrecommendations! Published in 2018 at "Physics of the Solid State"
DOI: 10.1134/s1063783418030058
Abstract: A new method of two-stage crystallization of lead zirconate–titanate (PZT) films using a seed sublayer with a low excess lead content has been proposed and realized. A seed layer with a strong texture of perovskite… read more here.
Keywords: seed; crystal structure; structure electrical; pzt ... See more keywords