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Full-Text Articles in Inorganic Chemistry

Computational Elucidation Of The "Coloring Problem" In Rhenium Aluminum Silicon Compounds, Alec George Neeson Aug 2020

Computational Elucidation Of The "Coloring Problem" In Rhenium Aluminum Silicon Compounds, Alec George Neeson

MSU Graduate Theses

Re1Si1Al1 and its related compounds are potential thermoelectric materials. Previously, it was reported to adopt a MoSi2-type structure with Si and Al atoms statistically sharing the same crystallographic sites. This recent study indicates otherwise – Si and Al are segregated and occupy different sites when mixed with a 1:1:1 stoichiometry. To confirm and rationalize the segregation between Si and Al, this research studied this compound with first-principle calculations. Several model structures have been constructed for Re1Si1Al1 including a number of different super-cell models. Energy analysis confirmed that the …


Doping Effects On Transition-Metal Silicides: Crystal Structures And Physical Properties Of Aluminium Doped Rhenium Silicide, Victoria Decocq Aug 2020

Doping Effects On Transition-Metal Silicides: Crystal Structures And Physical Properties Of Aluminium Doped Rhenium Silicide, Victoria Decocq

MSU Graduate Theses

Semiconductive transition-metal silicides (e.g., ReSi) express weak thermoelectric properties. These properties can improve through n-type or p-type doping (e.g., Al), resulting in altered crystal structures. Binary rhenium silicide (ReSi1.75) exhibits promising thermoelectric properties and an intriguing crystal structure. Previous research has shown ReSi1.75 changes from a commensurate supercell MoSi2-type structure to an incommensurate superspace group structure, when doped with aluminium to ReAl0.074Si1.67. ReSi1.75 expresses a figure of merit (ZT) of 0.70 at 800°C, which improves to a ZT of 0.95 at 150°C for ReAl0.02Si1.75. Because of …


Synthesis, Characterization, And Biological Studies Of Novel Organoantimony(V) Cyanoximates, Kevin Anthony Pinks Aug 2020

Synthesis, Characterization, And Biological Studies Of Novel Organoantimony(V) Cyanoximates, Kevin Anthony Pinks

MSU Graduate Theses

The requirement of new antimicrobial treatments has become an urgent field recently. Multi-drug resistant (MDR) bacteria are now resistant to common antibiotics. To antagonize such bacteria 8 novel organoantimony(V) cyanoximates were synthesized to be characterized and submitted for biological activity studies. Eight organoantimony(V) cyanoximates were characterized by elemental analysis, thermal analysis, IR-, 13C{1H} NMR, some with UV-visible spectroscopy, and single crystal X-ray analysis. Antimicrobial Disk studies indicated Sb(Ph)4(ACO) and Sb(Ph)4(ECO) had significant antimicrobial effect against all three strains: two gram-negative a) Escherichia coli strain S17 and b) Pseudomonas aeruginosa strain PAO1, alongside a …