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Microscopic origin of polytype-dependent melting in SiC revealed by machine-learning molecular dynamics
arXiv:2606.00403v1 Announce Type: cross Abstract: Predicting how crystal structure influences high-temperature stability remains a key challenge in materials modelling and design. Silicon carbide (SiC), one of the most thermally and chemically stable materials known, provides an ideal system for studying this problem because its many polytypes preserve similar local tetrahedral bonding while differing in long-range stacking geometry. Here, we combine phase-coexistence machine-learning...
Synthesis of single-layered fluorographdiyne nanosheets via selective on-surface 2D covalent polymerization
Announce Type: cross Abstract: Two-dimensional conjugated polymers (2DCPs) are significant macromolecular materials with intriguing and tunable physicochemical properties that depend on their geometries. Graphdiyne and its derivatives are exemplary 2DCPs featuring sp-sp2 hybridized skeletons. However, achieving single-layered, large-domain/regular graphdiyne and its derivatives on surfaces remains a formidable challenge due to the lack of selective 2D covalent polymerization methods.
Steering Selective Formation and 2D Crystallization of [4]Radialenes on Au(111) via [1+1+1+1] Cycloaddition of Isocyanides and Enantioselective Molecular Recognition
arXiv:2606.08111v1 Announce Type: cross Abstract: Conjugated carbon rings are fundamental skeletons of organic functional materials, and their selective formation is of paramount importance in molecular materials engineering. However, steering the formation and 2D crystallization of conjugated carbon rings on the surface with high chemo- and stereoselectivities remains a great challenge.