ORBi: Bichara C. - Adsorption of selenium wires in silicalite-1 zeolite: a first order transition in a microporous system

Reference : Adsorption of selenium wires in silicalite-1 zeolite: a first order transition in a micr...


	Document type :	Scientific journals : Letter to the editor
	Discipline(s) :	Physical, chemical, mathematical & earth Sciences : Physics Physical, chemical, mathematical & earth Sciences : Chemistry
	To cite this reference:	http://hdl.handle.net/2268/109684

Title :	Adsorption of selenium wires in silicalite-1 zeolite: a first order transition in a microporous system
Language :	English
Author, co-author :	Bichara, C. [> > > >]
	Raty, Jean-Yves [Université de Liège - ULg > Département de physique > Physique de la matière condensée]
	Pellenq, RJ-M [> > > >]
Publication date :	2002
Journal title :	Physical Review Letters
Publisher :	American Physical Society
Volume :	89
Issue/season :	1
Pages :	016101-1-016101-016101-4016101-016101-4
Peer reviewed :	Yes (verified by ORBi)
Audience :	International
ISSN :	0031-9007
e-ISSN :	1079-7114
City :	Ridge
Country :	NY
Keywords :	[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
Abstract :	[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
Permalink :	http://hdl.handle.net/2268/109684
DOI :	10.1103/PhysRevLett.89.016101
Other URL :	http://link.aps.org/doi/10.1103/PhysRevLett.89.016101

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