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New Journal of Physics

Volumn 15, Issue , 2013, Pages

Computational screening study towards redox-active metal-organic frameworks

(4) Jelic, Jelena a Denysenko, Dmytro b Volkmer, Dirk b Reuter, Karsten a

a TECHNICAL UNIVERSITY OF MUNICH (Germany)

b UNIVERSITY OF AUGSBURG (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL PROTOCOLS; HYBRID FUNCTIONAL; METAL ORGANIC FRAMEWORK; OXIDATION PROCESS; REDOX ACTIVITY; REDOX PROPERTY; SCREENING APPROACHES; SMALL CLUSTERS;

BINDING ENERGY; JAVA PROGRAMMING LANGUAGE; LIGANDS; METALS; REDOX REACTIONS;

CRYSTALLINE MATERIALS;

EID: 84888345317 PISSN: 13672630 EISSN: None Source Type: Journal
DOI: 10.1088/1367-2630/15/11/115004 Document Type: Article

Times cited : (16)

References (38)

1
- 65149084322
- 10.1039/b802256a
- Murray L J, Dinca M and Long J R 2009 Chem. Soc. Rev. 38 1294-314
- (2009) Chem. Soc. Rev. , vol.38 , pp. 1294-1314
- Murray, L.J.¹ Dinca, M.² Long, J.R.³

2
- 65349158272
- 10.1039/b802426j
- Li J R, Kuppler R J, H and Zhou H C 2009 Chem. Soc. Rev. 38 1477-504
- (2009) Chem. Soc. Rev. , vol.38 , pp. 1477-1504
- Li, J.R.¹ Kuppler, R.J.H.² Zhou, H.C.³

3
- 77954063984
- 10.1021/cr9003924
- Corma A, García H, Llabrés H F and Xamena I 2010 Chem. Rev. 110 4606-55
- (2010) Chem. Rev. , vol.110 , pp. 4606-4655
- Corma, A.¹ García, H.² Llabrés, H.F.³ Xamena, I.⁴

4
- 65349147078
- 10.1039/b807080f
- Lee J Y, Farha O K, Roberts J, Scheidt K A, Nguyen S T and Hupp T J 2009 Chem. Soc. Rev. 38 1450-9
- (2009) Chem. Soc. Rev. , vol.38 , pp. 1450-1459
- Lee, J.Y.¹ Farha, O.K.² Roberts, J.³ Scheidt, K.A.⁴ Nguyen, S.T.⁵ Hupp, T.J.⁶

5
- 65349162795
- 10.1039/b817735j
- Tranchemontagne D J, Mendoza-Cortés J L, O'Keeffe M and Yaghi O M 2009 Chem. Soc. Rev 38 1257-83
- (2009) Chem. Soc. Rev , vol.38 , pp. 1257-1283
- Tranchemontagne, D.J.¹ Mendoza-Cortés, J.L.² O'Keeffe, M.³ Yaghi, O.M.⁴

6
- 65149105984
- 10.1039/b804680h
- Czaja A U, Trukhan N and Müller U 2009 Chem. Soc. Rev. 38 1284-93
- (2009) Chem. Soc. Rev. , vol.38 , pp. 1284-1293
- Czaja, A.U.¹ Trukhan, N.² Müller, U.³

7
- 0034830906
- Modular chemistry: Secondary building units as a basis for the design of highly porous and robust metal-organic carboxylate frameworks
- DOI 10.1021/ar000034b
- Eddaoudi M, Moler D B, Li H, Chen B, Reineke T M, O'Keeffe M and Yaghi O M 2001 Acc. Chem. Res. 34 319-30 (Pubitemid 32821155)
- (2001) Accounts of Chemical Research , vol.34 , Issue.4 , pp. 319-330
- Eddaoudi, M.¹ Moler, D.B.² Li, H.³ Chen, B.⁴ Reineke, T.M.⁵ O'Keeffe, M.⁶ Yaghi, O.M.⁷

8
- 20344401775
- Crystallized frameworks with giant pores: Are there limits to the possible?
- DOI 10.1021/ar040163i, Molecular Architecture
- Férey G, Mellot-Draznieks C, Serre C and Millange F 2005 Acc. Chem. Res. 38 217-25 (Pubitemid 40792584)
- (2005) Accounts of Chemical Research , vol.38 , Issue.4 , pp. 217-225
- Ferey, G.¹ Mellot-Draznieks, C.² Serre, C.³ Millange, F.⁴

9
- 33645661036
- 10.1039/b511962f
- Müller U, Schubert M, Teich F, Puetter H, Schierle-Arndt K and Pastré J 2006 J. Mater. Chem. 16 626-36
- (2006) J. Mater. Chem. , vol.16 , pp. 626-636
- Müller, U.¹ Schubert, M.² Teich, F.³ Puetter, H.⁴ Schierle-Arndt, K.⁵ Pastré, J.⁶

10
- 33745193730
- 10.1039/b600408c
- Cho S H, Ma B, Nguyen S T, Hupp J T and Albrecht-Schmitt T E 2006 Chem. Commun. 2006 2563-2565
- (2006) Chem. Commun. , vol.2006 , pp. 2563-2565
- Cho, S.H.¹ Ma, B.² Nguyen, S.T.³ Hupp, J.T.⁴ Albrecht-Schmitt, T.E.⁵

11
- 0037127013
- Systematic design of pore size and functionality in isoreticular MOFs and their application in methane storage
- DOI 10.1126/science.1067208
- Eddaoudi M, Kim J, Rosi N, Vodak D, Wachter J, O'Keefe M and Yaghi O M 2002 Science 295 469-72 (Pubitemid 34101630)
- (2002) Science , vol.295 , Issue.5554 , pp. 469-472
- Eddaoudi, M.¹ Kim, J.² Rosi, N.³ Vodak, D.⁴ Wachter, J.⁵ O'Keeffe, M.⁶ Yaghi, O.M.⁷

12
- 33749251287
- 2] (BTC = Benzene-1,3,5-tricarboxylate)
- DOI 10.1002/chem.200600220
- Alaerts L, Seguin E, Poelman H, Thibault-Starzyk F, Jacobs P A and De Vos D E 2006 Chem. Eur. J. 12 7353-63 (Pubitemid 44483827)
- (2006) Chemistry - A European Journal , vol.12 , Issue.28 , pp. 7353-7363
- Alaerts, L.¹ Seguin, E.² Poelman, H.³ Thibault-Starzyk, F.⁴ Jacobs, P.A.⁵ De Vos, D.E.⁶

13
- 3242718879
- 2
- DOI 10.1016/j.micromeso.2003.12.027, PII S1387181104001374
- Schlichte K, Kratzke T and Kaskel S 2004 Microporous Mesoporous Mater. 73 81-8 (Pubitemid 38945996)
- (2004) Microporous and Mesoporous Materials , vol.73 , Issue.1-2 , pp. 81-88
- Schlichte, K.¹ Kratzke, T.² Kaskel, S.³

14
- 33644949859
- 10.1021/ja056906s
- Vimont A, Goupil J M, Lavalley J C, Daturi M, Surble S, Serre C, Millange F, Férey G and Audebrand N 2006 J. Am. Chem. Soc. 128 3218-27
- (2006) J. Am. Chem. Soc. , vol.128 , pp. 3218-3227
- Vimont, A.¹ Goupil, J.M.² Lavalley, J.C.³ Daturi, M.⁴ Surble, S.⁵ Serre, C.⁶ Millange, F.⁷ Férey, G.⁸ Audebrand, N.⁹

15
- 34447125732
- Synthesis and catalytic properties of MIL-100(Fe), an iron(III) carboxylate with large pores
- DOI 10.1039/b704325b
- Horcajada P, Surble S, Serre C, Hong D Y, Seo Y K, Chang J S, Greneche J M, Margiolaki I and Férey G 2007 Chem. Commun. 128 2820-2 (Pubitemid 47035563)
- (2007) Chemical Communications , Issue.27 , pp. 2820-2822
- Horcajada, P.¹ Surble, S.² Serre, C.³ Hong, D.-Y.⁴ Seo, Y.-K.⁵ Chang, J.-S.⁶ Greneche, J.-M.⁷ Margiolaki, I.⁸ Ferey, G.⁹

16
- 68749089821
- 10.1039/b904280f
- Biswas S, Grzywa M, Nayek H P, Dehnen S, Senkovska I, Kaskel S and Volkmer D 2009 Dalton Trans. 2009 6487-6495
- (2009) Dalton Trans. , vol.2009 , pp. 6487-6495
- Biswas, S.¹ Grzywa, M.² Nayek, H.P.³ Dehnen, S.⁴ Senkovska, I.⁵ Kaskel, S.⁶ Volkmer, D.⁷

17
- 79551504682
- 10.1002/chem.201001872 0947-6539
- Denysenko D, Grzywa M, Tonigold M, Steppel B, Krkljus I, Hirscher M, Mugnaioli E, Kolb U, Hanss J and Volkmer D 2011 Chem.-Eur. J. 17 1837-48
- (2011) Chem.-Eur. J. , vol.17 , pp. 1837-1848
- Denysenko, D.¹ Grzywa, M.² Tonigold, M.³ Steppel, B.⁴ Krkljus, I.⁵ Hirscher, M.⁶ Mugnaioli, E.⁷ Kolb, U.⁸ Hanss, J.⁹ Volkmer, D.¹⁰

18
- 0010636960
- 10.1021/cr00019a006
- Trofimenko S 1993 Chem. Rev. 93 943-80
- (1993) Chem. Rev. , vol.93 , pp. 943-980
- Trofimenko, S.¹

19
- 33748225674
- 10.1002/anie.199520511 0570-0833
- Reinaud O M, Yap G P A, Rheingold A L and Theopold K H 1995 Angew. Chem. Int. Ed. Engl. 34 2051-2
- (1995) Angew. Chem. Int. Ed. Engl. , vol.34 , pp. 2051-2052
- Reinaud, O.M.¹ Yap, G.P.A.² Rheingold, A.L.³ Theopold, K.H.⁴

20
- 0035804139
- 10.1002/1521-3765(20011 203)7:23%3C5011::AID-CH EM5011%3E3.0.CO;2-C 0947-6539
- Hikichi S, Yoshizawa M, Sasakura Y, Komatsuzaki H, Moro-oka Y and Akita M 2001 Chem. Eur. J. 7 5011-28
- (2001) Chem. Eur. J. , vol.7 , pp. 5011-5028
- Hikichi, S.¹ Yoshizawa, M.² Sasakura, Y.³ Komatsuzaki, H.⁴ Moro-Oka, Y.⁵ Akita, M.⁶

21
- 0001005921
- 10.1016/0010-8545(87)80009-7 0010-8545
- Bailey C L and Drago R S 1987 Coord. Chem. Rev. 79 321-32
- (1987) Coord. Chem. Rev. , vol.79 , pp. 321-332
- Bailey, C.L.¹ Drago, R.S.²

22
- 77349099243
- 10.1021/cr900269x
- Gunay A and Theopold K H 2010 Chem. Rev. 110 1060-81
- (2010) Chem. Rev. , vol.110 , pp. 1060-1081
- Gunay, A.¹ Theopold, K.H.²

23
- 84855588457
- 10.1039/c2cc16235k
- Denysenko D, Werner T, Grzywa M, Puls A, Hagen V, Eickerling G, Jelic J, Reuter K and Volkmer D 2012 Chem. Commun. 48 1236
- (2012) Chem. Commun. , vol.48 , pp. 1236
- Denysenko, D.¹ Werner, T.² Grzywa, M.³ Puls, A.⁴ Hagen, V.⁵ Eickerling, G.⁶ Jelic, J.⁷ Reuter, K.⁸ Volkmer, D.⁹

24
- 80054973456
- 10.1039/c1dt10724k
- Kubas A, Hartung J and Fink K 2011 Dalton Trans. 40 11289-95
- (2011) Dalton Trans. , vol.40 , pp. 11289-11295
- Kubas, A.¹ Hartung, J.² Fink, K.³

25
- 85024792650
- 10.1063/1.3676410 064503
- Göltl F and Hafner J 2012 J. Chem. Phys. 136 064503
- (2012) J. Chem. Phys. , vol.136
- Göltl, F.¹ Hafner, J.²

26
- 79960532601
- 10.1002/chem.201003173 0947-6539
- Tonigold M, Lu Y, Mavrandonakis A, Puls A, Staudt R, Mollmer J, Sauer J and Volkmer D 2011 Chem. - Eur. J. 17 8671-95
- (2011) Chem. - Eur. J. , vol.17 , Issue.31 , pp. 8671-8695
- Tonigold, M.¹ Lu, Y.² Mavrandonakis, A.³ Puls, A.⁴ Staudt, R.⁵ Mollmer, J.⁶ Sauer, J.⁷ Volkmer, D.⁸

27
- 70149102016
- 10.1016/j.cpc.2009.06.022 0010-4655
- Blum V, Gehrke R, Hanke F, Havu P, Havu V, Ren X, Reuter K and Scheffler M 2009 Comp. Phys. Commun. 180 2175-96
- (2009) Comp. Phys. Commun. , vol.180 , pp. 2175-2196
- Blum, V.¹ Gehrke, R.² Hanke, F.³ Havu, P.⁴ Havu, V.⁵ Ren, X.⁶ Reuter, K.⁷ Scheffler, M.⁸

28
- 84862089442
- 10.1088/1367-2630/14/5/053020 1367-2630 053020
- Ren X, Rinke P, Blum V, Wieferink J, Tkatchenko A, Sanfilippo A, Reuter K and Scheffler M 2012 New J. Phys. 14 053020
- (2012) New J. Phys. , vol.14 , Issue.5
- Ren, X.¹ Rinke, P.² Blum, V.³ Wieferink, J.⁴ Tkatchenko, A.⁵ Sanfilippo, A.⁶ Reuter, K.⁷ Scheffler, M.⁸

29
- 4243943295
- 10.1103/PhysRevLett.77.3865
- Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865-8
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865-3868
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

30
- 0000189651
- 10.1063/1.464913
- Becke A D 1993 J. Chem. Phys. 98 5648-52
- (1993) J. Chem. Phys. , vol.98 , pp. 5648-5652
- Becke, A.D.¹

31
- 33751157732
- 10.1021/j100096a001
- Stephens P J, Devlin J F, Chabalowski C F and Frisch M J 1994 J. Chem. Phys. 98 11623-7
- (1994) J. Chem. Phys. , vol.98 , pp. 11623-11627
- Stephens, P.J.¹ Devlin, J.F.² Chabalowski, C.F.³ Frisch, M.J.⁴

32
- 61349180195
- 10.1103/PhysRevLett.102.073005 073005
- Tkatchenko A and Scheffler M 2009 Phys. Rev. Lett. 102 073005
- (2009) Phys. Rev. Lett. , vol.102
- Tkatchenko, A.¹ Scheffler, M.²

33
- 49449097052
- 10.1126/science.1158722
- Cohen A J, Mori-Sanchez P and Yang W 2008 Science 321 792
- (2008) Science , vol.321 , pp. 792
- Cohen, A.J.¹ Mori-Sanchez, P.² Yang, W.³

34
- 84866521763
- 10.1103/PhysRevB.67.153106 B 153106
- Petukhov A G, Mazin I I, Chioncel L and Lichtenstein A I 2003 Phys. Rev. B 67 153106
- (2003) Phys. Rev. , vol.67
- Petukhov, A.G.¹ Mazin, I.I.² Chioncel, L.³ Lichtenstein, A.I.⁴

35
- 41949121296
- Localization and delocalization errors in density functional theory and implications for band-gap prediction
- DOI 10.1103/PhysRevLett.100.146401
- Mori-Sanchez P, Cohen A J and Yang W 2008 Phys. Rev. Lett. 100 146401 (Pubitemid 351514277)
- (2008) Physical Review Letters , vol.100 , Issue.14 , pp. 146401
- Mori-Sanchez, P.¹ Cohen, A.J.² Yang, W.³

36
- 84888374520
- Wigner E 1927 Nachr. Ges. Wiss. Goett. Math.-Phys. Kl. 375
- (1927) Nachr. Ges. Wiss. Goett. Math.-Phys. Kl. , vol.375
- Wigner, E.¹

37
- 18144407646
- 2 at A1(111): The role of spin selection rules
- DOI 10.1103/PhysRevLett.94.036104, 036104
- Behler J, Delley B, Lorenz S, Reuter K and Scheffler M 2005 Phys. Rev. Lett. 94 036104 (Pubitemid 40618434)
- (2005) Physical Review Letters , vol.94 , Issue.3 , pp. 1-4
- Behler, J.¹ Delley, B.² Lorenz, S.³ Reuter, K.⁴ Scheffler, M.⁵

38
- 33947241755
- 10.1103/PhysRevB.75.115409 B 115409
- Behler J, Delley B, Reuter K and Scheffler M 2007 Phys. Rev. B 75 115409
- (2007) Phys. Rev. , vol.75
- Behler, J.¹ Delley, B.² Reuter, K.³ Scheffler, M.⁴

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