Document Detail


Titanium-decorated graphene oxide for carbon monoxide capture and separation.
MedLine Citation:
PMID:  22025026     Owner:  NLM     Status:  Publisher    
Abstract/OtherAbstract:
We propose titanium-decorated graphene oxide (Ti-GO) as an ideal sorbent for carbon monoxide (CO) capture and separation from gas mixtures. Based on first-principles calculations, Ti-GO exhibits a large binding energy of ∼70 kJ mol(-1) for CO molecules, while the binding energies for other gases, such as N(2), CO(2), and CH(4), are significantly smaller. The gas adsorption properties of Ti-GO are independent of the local GO structures once Ti atoms are anchored by the oxygen-containing groups on the GO surface. The strong interaction between CO molecule and Ti is a result of dative bonding, i.e., hybridization between an empty d orbital of Ti and an occupied p orbital of CO. Adsorption isotherms from grand canonical Monte Carlo simulations clearly demonstrate the strong selectivity of Ti-GO for CO adsorption in a mixture with other gas.
Authors:
Lu Wang; Jijun Zhao; Lili Wang; Tianyin Yan; Yi-Yang Sun; Shengbai B Zhang
Related Documents :
18950226 - Darzens reaction of acyl phosphonates with alpha-bromo ketones: selective synthesis of ...
21604706 - Rational approach to endo/exocoordinated heteronuclear macrocyclic network: supramolecu...
21796296 - Surface basicity on bulk modified phosphorus alumina through different synthesis methods.
21588216 - Dicyanidobis(thio-urea-κs)cadmium(ii) monohydrate.
24129746 - P-cl bond-induced lactamization of 2(2'-hydroxyl)phenyloxazoline to form a cyclic phosp...
24151906 - Selective no trapping in the pores of chain-type complex assemblies based on electronic...
Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2011-10-24
Journal Detail:
Title:  Physical chemistry chemical physics : PCCP     Volume:  -     ISSN:  1463-9084     ISO Abbreviation:  -     Publication Date:  2011 Oct 
Date Detail:
Created Date:  2011-10-25     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  100888160     Medline TA:  Phys Chem Chem Phys     Country:  -    
Other Details:
Languages:  ENG     Pagination:  -     Citation Subset:  -    
Affiliation:
Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian, 116024, China.
Export Citation:
APA/MLA Format     Download EndNote     Download BibTex
MeSH Terms
Descriptor/Qualifier:

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine


Previous Document:  Primary Hydatid Cyst of the Axilla: Report of a Case.
Next Document:  On-chip integrated labelling, transport and detection of tumour cells.