A density-functional theory approach to the existence and stability of molybdenum and tungsten sesquioxide polymorphs [PDF]
The sesquioxides of molybdenum and tungsten have been reported as thin films or on surfaces as early as 1971, but the preparation of bulk materials and their crystal structures are still unknown up to the present day.
Becker, Nils +6 more
core +1 more source
Dinuclear Lanthanide (III) coordination polymers in a domino reaction [PDF]
A systematic study was performed to further optimise the catalytic room-temperature synthesis of trans-4,5- diaminocyclopent-2-enones from 2-furaldehyde and primary or secondary amines under a non-inert atmosphere. For this purpose, a series of dinuclear
Abdul-Sada, Alaa +5 more
core +2 more sources
Materials chemistry under high pressures - Some recent aspects [PDF]
Among the thermodynamic parameters governing the preparation of novel materials, temperature (T) and pressure (p) play an important role. In Materials Chemistry, the synthesis of materials needs energy in order to enhance the diffusion of atoms to the ...
Alonso, Jose A. +5 more
core +3 more sources
Explorations into the rare earth chemistry of biphenolates and superbulky cyclopentadienyl ligands, and a study of C-F activation by rare earth metals [PDF]
Angus Shephard studied a range of alternative synthetic methods for accessing valuable rare earth metal complexes. He explored new and previously unused methods of synthesising rare earth biphenolate complexes, superbulky lanthanoid metallocene complexes,
Shephard, Angus C. G.
core +1 more source
The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes [PDF]
Across the periodic table the trans-influence operates, whereby tightly bonded ligands selectively lengthen mutually trans metal–ligand bonds. Conversely, in high oxidation state actinide complexes the inverse-trans-influence operates, where normally cis
AJ Lewis +63 more
core +5 more sources
Properties of RRe2Al10 (R=Y, Gd–Lu) crystals [PDF]
Large single crystals of rare-earth rhenium aluminide RRe2Al10, with R=Y, and Gd–Lu were grown out of an Al-rich solution. Single crystal x-ray diffraction data confirmed the orthorhombic Cmcm structure for all members: R=Gd-Dy with TbRe2Al10-structure ...
Bud'ko, Sergey +3 more
core +3 more sources
What Do Large Language Models Know About Materials?
If large language models (LLMs) are to be used inside the material discovery and engineering process, they must be benchmarked for the accurateness of intrinsic material knowledge. The current work introduces 1) a reasoning process through the processing–structure–property–performance chain and 2) a tool for benchmarking knowledge of LLMs concerning ...
Adrian Ehrenhofer +2 more
wiley +1 more source
This study presents novel anti‐counterfeiting tags with multilevel security features that utilize additional disguise features. They combine luminescent nanosized Ln‐MOFs with conductive polymers to multifunctional mixed‐matrix membranes and powder composites. The materials exhibit visible/NIR emission and matrix‐based conductivity even as black bodies.
Moritz Maxeiner +9 more
wiley +1 more source
Atomic Size Misfit for Electrocatalytic Small Molecule Activation
This review explores the application and mechanisms of atomic size misfit in catalysis for small molecule activation, focusing on how structural defects and electronic properties can effectively lower the energy barriers of chemical bonds in molecules like H2O, CO2, and N2.
Ping Hong +3 more
wiley +1 more source
Design and Optimisation of a Microwave Reactor for Kilo-Scale Polymer Synthesis [PDF]
Current industrial production of polymer resins is generally undertaken in large multi-tonne stirred tank reactors. These are characterised by relatively slow heating and cooling cycles, resulting in long vessel cycle times and extended production ...
Buttress, A.J. +9 more
core +2 more sources

