| Title |
Defects in metal–organic frameworks: a compromise between adsorption and stability?
|
|---|---|
| Published in |
Dalton Transactions: An International Journal of Inorganic Chemistry, January 2016
|
| DOI | 10.1039/c5dt04330a |
| Pubmed ID | |
| Authors |
A W Thornton, R Babarao, A Jain, F Trousselet, F-X Coudert |
| 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. |
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X Demographics
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Canada | 1 | 20% |
| United Kingdom | 1 | 20% |
| United States | 1 | 20% |
| Unknown | 2 | 40% |
Demographic breakdown
| Type | Count | As % |
|---|---|---|
| Scientists | 3 | 60% |
| Members of the public | 2 | 40% |
Mendeley readers
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| United States | 1 | <1% |
| United Kingdom | 1 | <1% |
| Belgium | 1 | <1% |
| Unknown | 189 | 98% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Student > Ph. D. Student | 47 | 24% |
| Researcher | 31 | 16% |
| Student > Master | 16 | 8% |
| Student > Doctoral Student | 11 | 6% |
| Student > Bachelor | 9 | 5% |
| Other | 18 | 9% |
| Unknown | 60 | 31% |
| Readers by discipline | Count | As % |
|---|---|---|
| Chemistry | 59 | 31% |
| Chemical Engineering | 26 | 14% |
| Materials Science | 17 | 9% |
| Engineering | 13 | 7% |
| Unspecified | 3 | 2% |
| Other | 9 | 5% |
| Unknown | 65 | 34% |