Defects in metal-organic frameworks: a compromise between adsorption and stability?
Identifieur interne : 002F46 ( Ncbi/Curation ); précédent : 002F45; suivant : 002F47Defects in metal-organic frameworks: a compromise between adsorption and stability?
Auteurs : A W Thornton [Australie] ; R. Babarao [Australie] ; A. Jain [Inde] ; F. Trousselet [France] ; F-X Coudert [France]Source :
- Dalton transactions (Cambridge, England : 2003) [ 1477-9234 ] ; 2016.
Abstract
Defect engineering has arisen as a promising approach to tune and optimise the adsorptive performance of metal-organic frameworks. However, the balance between enhanced adsorption and structural stability remains an open question. Here both CO2 adsorption capacity and mechanical stability are calculated for the zirconium-based UiO-66, which is subject to systematic variations of defect scenarios. Modulator-dependence, defect concentration and heterogeneity are explored in isolation. Mechanical stability is shown to be compromised at high pressures where uptake is enhanced with an increase in defect concentration. Nonetheless this reduction in stability is minimised for reo type defects and defects with trifluoroacetate substitution. Finally, heterogeneity and auxeticity may also play a role in overcoming the compromise between adsorption and stability.
DOI: 10.1039/c5dt04330a
PubMed: 26733113
Links toward previous steps (curation, corpus...)
- to stream PubMed, to step Corpus: Pour aller vers cette notice dans l'étape Curation :002146
- to stream PubMed, to step Curation: Pour aller vers cette notice dans l'étape Curation :002120
- to stream PubMed, to step Checkpoint: Pour aller vers cette notice dans l'étape Curation :002120
- to stream Ncbi, to step Merge: Pour aller vers cette notice dans l'étape Curation :002F46
Links to Exploration step
pubmed:26733113Le document en format XML
<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Defects in metal-organic frameworks: a compromise between adsorption and stability?</title><author><name sortKey="Thornton, A W" sort="Thornton, A W" uniqKey="Thornton A" first="A W" last="Thornton">A W Thornton</name><affiliation wicri:level="1"><nlm:affiliation>Manufacturing, Commonwealth Scientific and Industrial Research Organisation, Private Bag 10, Clayton Sth, VIC 3169, Australia. Ravichandar.Babarao@csiro.au Aaron.Thornton@csiro.au.</nlm:affiliation><country xml:lang="fr">Australie</country><wicri:regionArea>Manufacturing, Commonwealth Scientific and Industrial Research Organisation, Private Bag 10, Clayton Sth, VIC 3169</wicri:regionArea><wicri:noRegion>VIC 3169</wicri:noRegion></affiliation></author><author><name sortKey="Babarao, R" sort="Babarao, R" uniqKey="Babarao R" first="R" last="Babarao">R. Babarao</name><affiliation wicri:level="1"><nlm:affiliation>Manufacturing, Commonwealth Scientific and Industrial Research Organisation, Private Bag 10, Clayton Sth, VIC 3169, Australia. Ravichandar.Babarao@csiro.au Aaron.Thornton@csiro.au.</nlm:affiliation><country xml:lang="fr">Australie</country><wicri:regionArea>Manufacturing, Commonwealth Scientific and Industrial Research Organisation, Private Bag 10, Clayton Sth, VIC 3169</wicri:regionArea><wicri:noRegion>VIC 3169</wicri:noRegion></affiliation></author><author><name sortKey="Jain, A" sort="Jain, A" uniqKey="Jain A" first="A" last="Jain">A. Jain</name><affiliation wicri:level="1"><nlm:affiliation>Manufacturing, Commonwealth Scientific and Industrial Research Organisation, Private Bag 10, Clayton Sth, VIC 3169, Australia. Ravichandar.Babarao@csiro.au Aaron.Thornton@csiro.au and Indian Institute of Technology, Kanpur Nagar, Uttar Pradesh 208016, India.</nlm:affiliation><country xml:lang="fr">Inde</country><wicri:regionArea>Manufacturing, Commonwealth Scientific and Industrial Research Organisation, Private Bag 10, Clayton Sth, VIC 3169, Australia. Ravichandar.Babarao@csiro.au Aaron.Thornton@csiro.au and Indian Institute of Technology, Kanpur Nagar, Uttar Pradesh 208016</wicri:regionArea><wicri:noRegion>Uttar Pradesh 208016</wicri:noRegion></affiliation></author><author><name sortKey="Trousselet, F" sort="Trousselet, F" uniqKey="Trousselet F" first="F" last="Trousselet">F. Trousselet</name><affiliation wicri:level="1"><nlm:affiliation>PSL Research University, Chimie ParisTech - CNRS, Institut de Recherche de Chimie Paris, 75005 Paris, France.</nlm:affiliation><country xml:lang="fr">France</country><wicri:regionArea>PSL Research University, Chimie ParisTech - CNRS, Institut de Recherche de Chimie Paris, 75005 Paris</wicri:regionArea><wicri:noRegion>75005 Paris</wicri:noRegion><placeName><settlement type="city">Paris</settlement><region type="région" nuts="2">Île-de-France</region></placeName></affiliation></author><author><name sortKey="Coudert, F X" sort="Coudert, F X" uniqKey="Coudert F" first="F-X" last="Coudert">F-X Coudert</name><affiliation wicri:level="1"><nlm:affiliation>PSL Research University, Chimie ParisTech - CNRS, Institut de Recherche de Chimie Paris, 75005 Paris, France.</nlm:affiliation><country xml:lang="fr">France</country><wicri:regionArea>PSL Research University, Chimie ParisTech - CNRS, Institut de Recherche de Chimie Paris, 75005 Paris</wicri:regionArea><wicri:noRegion>75005 Paris</wicri:noRegion><placeName><settlement type="city">Paris</settlement><region type="région" nuts="2">Île-de-France</region></placeName></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PubMed</idno><date when="2016">2016</date><idno type="RBID">pubmed:26733113</idno><idno type="pmid">26733113</idno><idno type="doi">10.1039/c5dt04330a</idno><idno type="wicri:Area/PubMed/Corpus">002146</idno><idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Corpus" wicri:corpus="PubMed">002146</idno><idno type="wicri:Area/PubMed/Curation">002120</idno><idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Curation">002120</idno><idno type="wicri:Area/PubMed/Checkpoint">002120</idno><idno type="wicri:explorRef" wicri:stream="Checkpoint" wicri:step="PubMed">002120</idno><idno type="wicri:Area/Ncbi/Merge">002F46</idno><idno type="wicri:Area/Ncbi/Curation">002F46</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en">Defects in metal-organic frameworks: a compromise between adsorption and stability?</title><author><name sortKey="Thornton, A W" sort="Thornton, A W" uniqKey="Thornton A" first="A W" last="Thornton">A W Thornton</name><affiliation wicri:level="1"><nlm:affiliation>Manufacturing, Commonwealth Scientific and Industrial Research Organisation, Private Bag 10, Clayton Sth, VIC 3169, Australia. Ravichandar.Babarao@csiro.au Aaron.Thornton@csiro.au.</nlm:affiliation><country xml:lang="fr">Australie</country><wicri:regionArea>Manufacturing, Commonwealth Scientific and Industrial Research Organisation, Private Bag 10, Clayton Sth, VIC 3169</wicri:regionArea><wicri:noRegion>VIC 3169</wicri:noRegion></affiliation></author><author><name sortKey="Babarao, R" sort="Babarao, R" uniqKey="Babarao R" first="R" last="Babarao">R. Babarao</name><affiliation wicri:level="1"><nlm:affiliation>Manufacturing, Commonwealth Scientific and Industrial Research Organisation, Private Bag 10, Clayton Sth, VIC 3169, Australia. Ravichandar.Babarao@csiro.au Aaron.Thornton@csiro.au.</nlm:affiliation><country xml:lang="fr">Australie</country><wicri:regionArea>Manufacturing, Commonwealth Scientific and Industrial Research Organisation, Private Bag 10, Clayton Sth, VIC 3169</wicri:regionArea><wicri:noRegion>VIC 3169</wicri:noRegion></affiliation></author><author><name sortKey="Jain, A" sort="Jain, A" uniqKey="Jain A" first="A" last="Jain">A. Jain</name><affiliation wicri:level="1"><nlm:affiliation>Manufacturing, Commonwealth Scientific and Industrial Research Organisation, Private Bag 10, Clayton Sth, VIC 3169, Australia. Ravichandar.Babarao@csiro.au Aaron.Thornton@csiro.au and Indian Institute of Technology, Kanpur Nagar, Uttar Pradesh 208016, India.</nlm:affiliation><country xml:lang="fr">Inde</country><wicri:regionArea>Manufacturing, Commonwealth Scientific and Industrial Research Organisation, Private Bag 10, Clayton Sth, VIC 3169, Australia. Ravichandar.Babarao@csiro.au Aaron.Thornton@csiro.au and Indian Institute of Technology, Kanpur Nagar, Uttar Pradesh 208016</wicri:regionArea><wicri:noRegion>Uttar Pradesh 208016</wicri:noRegion></affiliation></author><author><name sortKey="Trousselet, F" sort="Trousselet, F" uniqKey="Trousselet F" first="F" last="Trousselet">F. Trousselet</name><affiliation wicri:level="1"><nlm:affiliation>PSL Research University, Chimie ParisTech - CNRS, Institut de Recherche de Chimie Paris, 75005 Paris, France.</nlm:affiliation><country xml:lang="fr">France</country><wicri:regionArea>PSL Research University, Chimie ParisTech - CNRS, Institut de Recherche de Chimie Paris, 75005 Paris</wicri:regionArea><wicri:noRegion>75005 Paris</wicri:noRegion><placeName><settlement type="city">Paris</settlement><region type="région" nuts="2">Île-de-France</region></placeName></affiliation></author><author><name sortKey="Coudert, F X" sort="Coudert, F X" uniqKey="Coudert F" first="F-X" last="Coudert">F-X Coudert</name><affiliation wicri:level="1"><nlm:affiliation>PSL Research University, Chimie ParisTech - CNRS, Institut de Recherche de Chimie Paris, 75005 Paris, France.</nlm:affiliation><country xml:lang="fr">France</country><wicri:regionArea>PSL Research University, Chimie ParisTech - CNRS, Institut de Recherche de Chimie Paris, 75005 Paris</wicri:regionArea><wicri:noRegion>75005 Paris</wicri:noRegion><placeName><settlement type="city">Paris</settlement><region type="région" nuts="2">Île-de-France</region></placeName></affiliation></author></analytic><series><title level="j">Dalton transactions (Cambridge, England : 2003)</title><idno type="eISSN">1477-9234</idno><imprint><date when="2016" type="published">2016</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">Defect engineering has arisen as a promising approach to tune and optimise the adsorptive performance of metal-organic frameworks. However, the balance between enhanced adsorption and structural stability remains an open question. Here both CO2 adsorption capacity and mechanical stability are calculated for the zirconium-based UiO-66, which is subject to systematic variations of defect scenarios. Modulator-dependence, defect concentration and heterogeneity are explored in isolation. Mechanical stability is shown to be compromised at high pressures where uptake is enhanced with an increase in defect concentration. Nonetheless this reduction in stability is minimised for reo type defects and defects with trifluoroacetate substitution. Finally, heterogeneity and auxeticity may also play a role in overcoming the compromise between adsorption and stability.</div></front></TEI></record>Pour manipuler ce document sous Unix (Dilib)
EXPLOR_STEP=$WICRI_ROOT/Wicri/Asie/explor/AustralieFrV1/Data/Ncbi/Curation
HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 002F46 | SxmlIndent | more
Ou
HfdSelect -h $EXPLOR_AREA/Data/Ncbi/Curation/biblio.hfd -nk 002F46 | SxmlIndent | more
Pour mettre un lien sur cette page dans le réseau Wicri
{{Explor lien
|wiki= Wicri/Asie
|area= AustralieFrV1
|flux= Ncbi
|étape= Curation
|type= RBID
|clé= pubmed:26733113
|texte= Defects in metal-organic frameworks: a compromise between adsorption and stability?
}}
Pour générer des pages wiki
HfdIndexSelect -h $EXPLOR_AREA/Data/Ncbi/Curation/RBID.i -Sk "pubmed:26733113" \
| HfdSelect -Kh $EXPLOR_AREA/Data/Ncbi/Curation/biblio.hfd \
| NlmPubMed2Wicri -a AustralieFrV1
| This area was generated with Dilib version V0.6.33. |  |