Vibrational spectroscopy and density functional theory calculations are used to determine the structures of small gas-phase platinum carbido dusters PtnC+, n = 3-5. The carbon atom is found to prefer three-coordinate binding sites near the center of the duster, in contrast to most previously investigated adatoms on transition metal clusters. The Pt3C unit is particularly stable, and binding of the carbon atom also leads to significant rearrangement of the metal framework when compared to the bare clusters
The preferred location and the corresponding energetics of zeolite-embedded single metal atoms and s...
The state of art of the chemical, spectroscopic and structural characterization of platinum carbonyl...
Phosphido (PR2-) ligands bind terminally to an electron rich transition element only in a very few s...
Vibrational spectroscopy and density functional theory calculations are used to determine the struct...
Vibrational spectroscopy and density functional theory calculations are used to determine the struct...
Due to the character of the original source materials and the nature of batch digitization, quality ...
International audienceAlthough the chemistry of carbonyl-protected platinum nanoclusters is well est...
Fuel cells have been demonstrated to be promising power generation devices to address the current gl...
Novel research avenues have been explored over the last decade on the use of transition metal carbid...
Additional contributor: J. Woods Halley (faculty mentor)Catalysts are central to many present and fu...
Producción CientíficaDensity Functional Theory (DFT) simulations have been performed to study the CO...
The interaction of platinum nanoparticles from a size of a few atoms up to 1 nm with extended carbon...
Nanoclusters offer unique physical and chemical behaviour, with the possibility of fine-tuning size ...
We generalized the method of Sankey and co-workers, which is based on the ab initio Harris functiona...
A genetic algorithm, coupled with the empirical Gupta many-body potential, is used to perform global...
The preferred location and the corresponding energetics of zeolite-embedded single metal atoms and s...
The state of art of the chemical, spectroscopic and structural characterization of platinum carbonyl...
Phosphido (PR2-) ligands bind terminally to an electron rich transition element only in a very few s...
Vibrational spectroscopy and density functional theory calculations are used to determine the struct...
Vibrational spectroscopy and density functional theory calculations are used to determine the struct...
Due to the character of the original source materials and the nature of batch digitization, quality ...
International audienceAlthough the chemistry of carbonyl-protected platinum nanoclusters is well est...
Fuel cells have been demonstrated to be promising power generation devices to address the current gl...
Novel research avenues have been explored over the last decade on the use of transition metal carbid...
Additional contributor: J. Woods Halley (faculty mentor)Catalysts are central to many present and fu...
Producción CientíficaDensity Functional Theory (DFT) simulations have been performed to study the CO...
The interaction of platinum nanoparticles from a size of a few atoms up to 1 nm with extended carbon...
Nanoclusters offer unique physical and chemical behaviour, with the possibility of fine-tuning size ...
We generalized the method of Sankey and co-workers, which is based on the ab initio Harris functiona...
A genetic algorithm, coupled with the empirical Gupta many-body potential, is used to perform global...
The preferred location and the corresponding energetics of zeolite-embedded single metal atoms and s...
The state of art of the chemical, spectroscopic and structural characterization of platinum carbonyl...
Phosphido (PR2-) ligands bind terminally to an electron rich transition element only in a very few s...