Modelling a Linker Mix-and-Match Approach for Controlling the Optical Excitation Gaps and Band Alignment of Zeolitic Imidazolate Frameworks

Angewandte Chemie - International Edition

Volumn 55, Issue 52, 2016, Pages 16012-16016

  Grau Crespo, Ricardo ^a   Aziz, Alex ^a   Collins, Angus W ^a   Crespo Otero, Rachel ^b   Hernández, Norge C ^c   Rodriguez Albelo, L Marleny ^d   Ruiz Salvador, A Rabdel ^e   Calero, Sofia ^e   Hamad, Said ^e  

^a UNIVERSITY OF READING   (United Kingdom)

^b QUEEN MARY UNIVERSITY OF LONDON   (United Kingdom)

^c UNIVERSITY OF SEVILLE   (Spain)

^d UNIVERSITY OF GRANADA   (Spain)

^e UNIVERSIDAD PABLO DE OLAVIDE   (Spain)

Author keywords

band gaps; computational chemistry; metal organic frameworks; photocatalysis; zeolitic imidazolate frameworks

Indexed keywords

COMPUTATIONAL CHEMISTRY; ELECTRONIC STRUCTURE; MIXING; PHOTOCATALYSIS;

BAND ALIGNMENTS; BAND EDGE POSITION; HOLE RECOMBINATION; PHOTO-CATALYTIC; PHOTOABSORPTIONS; TETRAHEDRAL POSITION; WIDE BAND GAP; ZEOLITIC IMIDAZOLATE FRAMEWORKS;

ENERGY GAP;

EID: 84997496895     PISSN: 14337851     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.201609439     Document Type: Article

References (39)

1. H. Furukawa, K. E. Cordova, M. O'Keeffe, O. M. Yaghi, Science 2013, 341, 1230444.
2. J.-L. Wang, C. Wang, W. Lin, ACS Catal. 2012, 2, 2630–2640;
3. Y. Li, H. Xu, S. Ouyang, J. Ye, Phys. Chem. Chem. Phys. 2016, 18, 7563–7572;
4. M. A. Nasalevich, M. van der Veen, F. Kapteijn, J. Gascon, CrystEngComm 2014, 16, 4919–4926.
5. C. Wang, Z. Xie, K. E. deKrafft, W. Lin, J. Am. Chem. Soc. 2011, 133, 13445–13454;
6. S. Pullen, H. Fei, A. Orthaber, S. M. Cohen, S. Ott, J. Am. Chem. Soc. 2013, 135, 16997–17003;
7. C. Wang, K. E. deKrafft, W. Lin, J. Am. Chem. Soc. 2012, 134, 7211–7214;
8. J. He, Z. Yan, J. Wang, J. Xie, L. Jiang, Y. Shi, F. Yuan, F. Yu, Y. Sun, Chem. Commun. 2013, 49, 6761–6763;
9. A. Fateeva, P. A. Chater, C. P. Ireland, A. A. Tahir, Y. Z. Khimyak, P. V. Wiper, J. R. Darwent, M. J. Rosseinsky, Angew. Chem. Int. Ed. 2012, 51, 7440–7444;
10. Angew. Chem. 2012, 124, 7558–7562;
11. M. A. Nasalevich, R. Becker, E. V. Ramos-Fernandez, S. Castellanos, S. L. Veber, M. V. Fedin, F. Kapteijn, J. N. H. Reek, J. I. van der Vlugt, J. Gascon, Energy Environ. Sci. 2015, 8, 364–375.
12. J. Gascon, M. D. Hernandez-Alonso, A. R. Almeida, G. P. M. van Klink, F. Kapteijn, G. Mul, ChemSusChem 2008, 1, 981–983.
13. C. G. Silva, I. Luz, F. X. L. i. Xamena, A. Corma, H. García, Chem. Eur. J. 2010, 16, 11133–11138.
14. Y.-Q. Tian, Y.-M. Zhao, Z.-X. Chen, G.-N. Zhang, L.-H. Weng, D.-Y. Zhao, Chem. Eur. J. 2007, 13, 4146–4154;
15. A. Phan, C. J. Doonan, F. J. Uribe-Romo, C. B. Knobler, M. O'Keeffe, O. M. Yaghi, Acc. Chem. Res. 2010, 43, 58–67;
16. B. Chen, Z. Yang, Y. Zhu, Y. Xia, J. Mater. Chem. A 2014, 2, 16811–16831.
17. S. Wang, W. Yao, J. Lin, Z. Ding, X. Wang, Angew. Chem. Int. Ed. 2014, 53, 1034–1038;
18. Angew. Chem. 2014, 126, 1052–1056;
19. H. Yang, X.-W. He, F. Wang, Y. Kang, J. Zhang, J. Mater. Chem. 2012, 22, 21849–21851.
20. W. J. Greenlee, in US Patent 5,164,407, 1992.
21. J. Heyd, G. E. Scuseria, M. Ernzerhof, J. Chem. Phys. 2003, 118, 8207–8215;
22. J. Heyd, G. E. Scuseria, M. Ernzerhof, J. Chem. Phys. 2006, 124, 219906.
23. K. T. Butler, C. H. Hendon, A. Walsh, J. Am. Chem. Soc. 2014, 136, 2703–2706.
24. K. Hendrickx, D. E. P. Vanpoucke, K. Leus, K. Lejaeghere, A. Van Yperen-De Deyne, V. Van Speybroeck, P. Van Der Voort, K. Hemelsoet, Inorg. Chem. 2015, 54, 10701–10710;
25. C. H. Hendon, D. Tiana, M. Fontecave, C. Sanchez, L. D′arras, C. Sassoye, L. Rozes, C. Mellot-Draznieks, A. Walsh, J. Am. Chem. Soc. 2013, 135, 10942–10945;
26. H. Q. Pham, T. Mai, N.-N. Pham-Tran, Y. Kawazoe, H. Mizuseki, D. Nguyen-Manh, J. Phys. Chem. C 2014, 118, 4567–4577.
27. H. Wang, L. Zhang, Z. Chen, J. Hu, S. Li, Z. Wang, J. Liu, X. Wang, Chem. Soc. Rev. 2014, 43, 5234–5244;
28. M. G. Walter, E. L. Warren, J. R. McKone, S. W. Boettcher, Q. Mi, E. A. Santori, N. S. Lewis, Chem. Rev. 2010, 110, 6446–6473;
29. T. Hisatomi, J. Kubota, K. Domen, Chem. Soc. Rev. 2014, 43, 7520–7535.
30. S. Trasatti, Pure Appl. Chem. 1986, 58, 955–966.
31. D. K. Kanan, E. A. Carter, J. Phys. Chem. C 2012, 116, 9876–9887;
32. S. Hamad, N. C. Hernandez, A. Aziz, A. R. Ruiz-Salvador, S. Calero, R. Grau-Crespo, J. Mater. Chem. A 2015, 3, 23458–23465.
33. M. A. Nasalevich, C. H. Hendon, J. G. Santaclara, K. Svane, B. van der Linden, S. L. Veber, M. V. Fedin, A. J. Houtepen, M. A. van der Veen, F. Kapteijn, A. Walsh, J. Gascon, Sci. Rep. 2016, 6, 23676.
34. R. Banerjee, A. Phan, B. Wang, C. Knobler, H. Furukawa, M. O'Keeffe, O. M. Yaghi, Science 2008, 319, 939–943.
35. R. Banerjee, H. Furukawa, D. Britt, C. Knobler, M. O'Keeffe, O. M. Yaghi, J. Am. Chem. Soc. 2009, 131, 3875–3877.
36. Y. H. Fu, D. R. Sun, Y. J. Chen, R. K. Huang, Z. X. Ding, X. Z. Fu, Z. H. Li, Angew. Chem. Int. Ed. 2012, 51, 3364–3367;
37. Angew. Chem. 2012, 124, 3420–3423;
38. D. R. Sun, Y. H. Fu, W. J. Liu, L. Ye, D. K. Wang, L. Yang, X. Z. Fu, Z. H. Li, Chem. Eur. J. 2013, 19, 14279–14285.
39. B. Pattengale, S. Yang, J. Ludwig, Z. Huang, X. Zhang, J. Huang, J. Am. Chem. Soc. 2016, 138, 8072–8075.