Platinum catalyst molecular modelling

Platinum catalyst molecular modelling

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Caption: Platinum catalyst molecular modelling. Supercomputer model of the geometric and electronic structure of a platinum-carbon monoxide complex. A platinum cluster (seven yellow spheres) has adsorbed a carbon monoxide (CO) molecule (red and green spheres, bottom). The clouds are volume-rendering of the electronic charge density field of the highest-occupied molecular orbital (HOMO), from low (blue) to high (green). The energetics of the bonding shown here is being studied because carbon monoxide can act to poison catalysts by adsorption on the surface of the metals used. Image published in 2010.

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Keywords: 2010, 2011, 21st century, adsorbing, american, argonne national laboratory, artwork, atom, atoms, black background, carbon monoxide, catalysis, catalyst, catalytic, cgi, chemical, chemistry, co, complex, computational chemistry, computer, computing, digitally generated, electronic, geometric, graphic, highest-occupied molecular orbital, homo, illustration, lattice, model, modeling, modelling, molecular, molecular orbitals, molecule, physical chemistry, platinum, poison, poisoned, poisoning, research, simulation, structural, structure, supercomputer, supercomputing, surface, surface chemistry, surface physics, us, visualisation, visualization, volume rendering, volume-rendering

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