Density-functional theory based global geometry optimization is used to scrutinize the possibility of using endohedrally-doped hydrogenated Si clusters as building blocks for constructing highly magnetic materials. In contrast to the known clathrate-type
Palagin, Dennis, Reuter, Karsten
core +1 more source
Synthesis of Quinazoline and Quinazolinone Derivatives via Ligand-Promoted Ruthenium-Catalyzed Dehydrogenative and Deaminative Coupling Reaction of 2-Aminophenyl Ketones and 2-Aminobenzamides with Amines [PDF]
The in situ formed ruthenium catalytic system ([Ru]/L) was found to be highly selective for the dehydrogenative coupling reaction of 2-aminophenyl ketones with amines to form quinazoline products.
Arachchige, Pandula T. Kirinde +1 more
core +3 more sources
Recent Advances and Challenges in Ammonia‐Hydrogen Energy Conversion
This work summarizes the latest progress of various catalytic methods in ammonia‐hydrogen energy conversion. The challenges and outlook of ammonia‐hydrogen energy conversion system are also emphasized. This work expects to build a blueprint of renewable and efficient ammonia‐hydrogen energy conversion systems under mild conditions.
Menghao Lv +6 more
wiley +1 more source
Stereoselective Biotransformation: Transfer of Learning to Advance Drug Metabolism and Biocatalysis
Understanding stereoselective biotransformations has implications for predicting drug disposition and response and may also inspire novel biocatalytic and biomimetic strategies to address challenges in metabolite and API synthesis. ABSTRACT Chirality is an important determinant of drug action, as enantiomers can exhibit markedly different ...
Grace A. Okunlola, Godwin A. Aleku
wiley +2 more sources
Development of covalent triazine frameworks as heterogeneous catalytic supports [PDF]
Covalent triazine frameworks (CTFs) are established as an emerging class of porous organic polymers with remarkable features such as large surface area and permanent porosity, high thermal and chemical stability, and convenient functionalization that ...
Krishnaraj, Chidharth +3 more
core +1 more source
Silicon Nitride Resistive Memories
Amorphous SiNx is an attractive resistance switching material for ReRAM applications due to its physicochemical properties, such as humidity resistance, low oxygen diffusivity, and is used as a metal diffusion blocker. By modifying the ratio between N and Si atoms, the microstructure of the SiNx is affected, rendering it possible to change the ...
Alexandros‐Eleftherios Mavropoulis +7 more
wiley +1 more source
Radical‐Based On‐Surface Transformation of Nonplanar Aromatics Into Nonbenzenoid Nanographenes
Formation of radicals in nonplanar hydrocarbons through thermally induced dehydrogenation leads to molecular transformation via intramolecular radical‐based cyclization and dimerization, leading to formation of nonbenzenoid nanographenes. ABSTRACT On‐surface synthesis has emerged as a powerful tool for atomically precise C─C bond formation, enabling ...
Daniel Rothhardt +8 more
wiley +2 more sources
Laboratory photo-chemistry of pyrene clusters: an efficient way to form large PAHs
In this work, we study the photodissociation processes of small PAH clusters (e.g., pyrene clusters). The experiments are carried out using a quadrupole ion trap in combination with time-of-flight (QIT-TOF) mass spectrometry. The results show that pyrene
Chen, Tao +2 more
core +1 more source
This review provides a bottom‐up evaluation of sodium‐ion battery safety, linking material degradation mechanisms, cell engineering parameters, and module/pack assembly. It emphasizes that understanding intrinsic material stability and establishing coordinated engineering control across hierarchical levels are vital for preventing degradation coupling ...
Won‐Gwang Lim +5 more
wiley +1 more source
Comparative Insights and Overlooked Factors of Interphase Chemistry in Alkali Metal‐Ion Batteries
This review presents a comparative analysis of Li‐, Na‐, and K‐ion batteries, focusing on the critical role of electrode–electrolyte interphases. It especially highlights overlooked aspects such as SEI/CEI misconceptions, binder effects, and self‐discharge relevance, emphasizing the limitations of current understanding and offering strategies for ...
Changhee Lee +3 more
wiley +1 more source

