Reference : Adsorption of selenium wires in silicalite-1 zeolite: a first order transition in a m...
Scientific journals : Letter to the editor
Physical, chemical, mathematical & earth Sciences : Chemistry
Physical, chemical, mathematical & earth Sciences : Physics
http://hdl.handle.net/2268/109684
Adsorption of selenium wires in silicalite-1 zeolite: a first order transition in a microporous system
English
Bichara, C. [> > > >]
Raty, Jean-Yves mailto [Université de Liège - ULg > Département de physique > Physique de la matière condensée]
Pellenq, RJ-M [> > > >]
2002
Physical Review Letters
American Physical Society
89
1
016101-1-016101-016101-4016101-016101-4
Yes (verified by ORBi)
International
0031-9007
1079-7114
Ridge
NY
[en] Theoretical or Mathematical/ adsorption ; desorption ; elemental semiconductors ; Monte Carlo methods ; nanostructured materials ; porous materials ; selenium ; silicon compounds ; zeolites/ adsorption ; selenium wires ; silicalite-1 zeolite ; first order transition ; microporous system ; tight binding grand canonical Monte Carlo simulation ; adsorption-desorption isotherms ; pore size ; twofold coordinated chain structure ; lattice gas-type model ; 0.5 to 0.6 nm ; Se/ A6845D Adsorption and desorption kinetics ; evaporation and condensation A6146 Structure of solid clusters, nanoparticles, and nanostructured materials/ size 5.0E-10 to 6.0E-10 m/ Se/ads Se /el ; SiO2/sur O2 /sur Si/sur O/sur SiO2 /ss O2/ss Si/ss O /ss
[en] A tight binding grand canonical Monte Carlo simulation of the adsorption of selenium in silicalite-1 zeolite is presented. The calculated adsorption-desorption isotherms exhibit characteristic features of a first order transition, unexpected for adsorption in a microporous system with pore size of the order of 0.5 to 0.6 nm. We analyze this behavior as a result of the favored twofold coordinated chain structure of selenium that grows inside the complex three-dimensional microchannel network of silicalite. This analysis is confirmed by simpler calculations of a lattice gas-type model
http://hdl.handle.net/2268/109684
10.1103/PhysRevLett.89.016101
http://link.aps.org/doi/10.1103/PhysRevLett.89.016101

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