Publications

Mechanisms of heat transfer in porous crystals containing adsorbed gases: Applications to metal-organic frameworks

26. H. Babaei, C.E. Wilmer, "Mechanisms of heat transfer in porous crystals containing adsorbed gases: Applications to metal-organic frameworks," Physical Review Letters, 116, 025902 (2016).

Enhanced gas sorption properties and unique behavior toward liquid water in a pillared-paddlewheel metal–organic framework transmetalated with Ni(II)

25. O. Karagiaridi, W. Bury, D. Fairen-Jimenez, C.E. Wilmer, A.A. Sarjeant, J.T. Hupp, and Omar K. Farha, "Enhanced gas sorption properties and unique behavior toward liquid water in a pillared-paddlewheel metal–organic framework transmetalated with Ni(II)," Inorganic Chemistry, 53, 10432–10436 (2014).

Exploring the limits of methane storage and delivery in nanoporous materials

24. D.A. Gomez-Gualdron, C.E. Wilmer, O.K. Farha, J.T. Hupp, and R.Q. Snurr, "Exploring the limits of methane storage and delivery in nanoporous materials," Journal of Physical Chemistry C, 118, 6941-6951 (2014).

High-throughput screening of porous crystalline materials for hydrogen storage capacity near room temperature

23. Y.J. Colon, D. Fairen-Jimenez, C.E. Wilmer, and R.Q. Snurr, "High-throughput screening of porous crystalline materials for hydrogen storage capacity near room temperature," Journal of Physical Chemistry C, 118, 5383-5389 (2014).

Metallacarborane-based metal-organic framework (MOF) with a complex topology

22. R.D. Kennedy, D.J. Clingerman, W.Morris, C.E. Wilmer, A.A. Sarjeant, C.L. Stern, M. O'Keeffe, R.Q. Snurr, J.T. Hupp, O.K. Farha, and C.A. Mirkin, "Metallacarborane-based metal-organic framework (MOF) with a complex topology," Crystal Growth & Design, 14, 1324-1330 (2014).

The effect of pyridine modification of Ni/DOBDC on CO₂ capture under humid conditions

21. Y.-S. Bae, J. Liu, C.E. Wilmer, H. Sun, A.N. Dickey, M.B. Kim, A.I. Benin, R.R. Willis, D. Barpaga, D. Levan, and R.Q. Snurr, "The effect of pyridine modification of Ni/DOBDC on CO₂ capture under humid conditions," Chemical Communications, 50, 3296-3298 (2014).

Carborane-based metal-organic framework with high methane and hydrogen storage capacities

20. R.D Kennedy, V. Krungleviciute, D.J. Clingerman, J.E. Mondloch, Y. Peng, C.E. Wilmer, A.A. Sarjeant, R.Q. Snurr, J.T. Hupp, T. Yildirim, O.K. Farha, and C.A. Mirkin, "Carborane-based metal-organic framework with high methane and hydrogen storage capacities," Chemistry of Materials, 25, 3539-3543 (2013).

Large-scale quantitative structure-property relationship (QSPR) analysis of methane storage in metal-organic frameworks

19. M. Fernandez, T.K. Woo, C.E. Wilmer and R.Q. Snurr, "Large-scale quantitative structure-property relationship (QSPR) analysis of methane storage in metal-organic frameworks," Journal of Physical Chemistry C, 117, 7681-7689 (2013).

Simultaneously high gravimetric and volumetric methane uptake characteristics of the metal-organic framework NU-111

18. Y. Peng, G. Srinivas, C.E. Wilmer, I. Eryazici, R.Q. Snurr, J.T. Hupp, T. Yildirim and O.K. Farha, "Simultaneously high gravimetric and volumetric methane uptake characteristics of the metal-organic framework NU-111," Chemical Communications, 49, 2992-2994 (2013).

Light harvesting and ultrafast energy migration in porphyrin-based metal-organic frameworks

17. H.-J. Son, S. Jin, S. Patwardhan, S.J. Wezenberg, N.C. Jeong, M. So, C.E. Wilmer, A.A. Sarjeant, G.C. Schatz, R.Q. Snurr, O.K. Farha, G.P. Wiederrecht, and J.T. Hupp, "Light harvesting and ultrafast energy migration in porphyrin-based metal-organic frameworks," Journal of the American Chemical Society, 135, 862-869 (2013).

Gram-scale, high-yield synthesis of a robust metal-organic framework for storing methane and other gases

16. C.E. Wilmer, O.K. Farha, T. Yildirim, I. Eryazici, V. Krungleviciute, A.A. Sarjeant, R.Q. Snurr, and J.T. Hupp, "Gram-scale, high-yield synthesis of a robust metal-organic framework for storing methane and other gases," Energy & Environmental Science, 6, 1158-1163 (2013).

Structure-property relationships of porous materials for carbon dioxide separation and capture

15. C.E. Wilmer, O.K. Farha, Y.-S. Bae, J.T. Hupp, and R.Q. Snurr, "Structure-property relationships of porous materials for carbon dioxide separation and capture," Energy & Environmental Science, 5, 9849-9856 (2012).

Metal-organic framework materials with ultrahigh surface areas: Is the sky the limit?

14. O.K. Farha, I. Eryazici, N.C. Jeong, B.G. Hauser, C.E. Wilmer, A.A. Sarjeant, R.Q. Snurr, S.T. Nguyen, A.Ö. Yazaydin, and J.T. Hupp, "Metal-organic framework materials with ultrahigh surface areas: Is the sky the limit?" Journal of the American Chemical Society, 134, 15016-15021 (2012).

An extended charge equilibration method

13. C.E. Wilmer, K.C. Kim and R.Q. Snurr, "An extended charge equilibration method," Journal of Physical Chemistry Letters, 3, 2506-2511 (2012).

Designing higher surface area metal-organic frameworks: Are triple bonds better than phenyls?

12. O.K. Farha, C.E. Wilmer, I. Eryazici, B.G. Hauser, P.A. Parilla, K. O'Neill, A.A. Sarjeant, S.T. Nguyen, R.Q. Snurr and J.T. Hupp, "Designing higher surface area metal-organic frameworks: Are triple bonds better than phenyls?" Journal of the American Chemical Society 134, 9860-9863 (2012).

Thermodynamic analysis of Xe/Kr selectivity in over 137,000 hypothetical metal-organic frameworks

11. B. Sikora, C.E. Wilmer, M.L. Greenfield and R.Q. Snurr, "Thermodynamic analysis of Xe/Kr selectivity in over 137,000 hypothetical metal-organic frameworks," Chemical Science, 3, 2217-2223 (2012).

Polyporous metal-coordination frameworks

10. J.J. Gassensmith, R.A. Smaldone, R.S. Forgan, C.E. Wilmer, D.B. Cordes, Y.Y. Botros, A.M.Z. Slawin, R.Q. Snurr and J.F. Stoddart, "Polyporous metal-coordination frameworks," Organic Letters, 14, 1460-1463 (2012).

Nanoporous carbohydrate metal-organic frameworks

9. R.S. Forgan, R.A. Smaldone, J.J. Gassensmith, H. Furukawa, D.B. Cordes, Q. Li, C.E. Wilmer, Y.Y. Botros, R.Q. Snurr, A.M.Z. Slawin and J.F. Stoddart, "Nanoporous carbohydrate metal-organic frameworks," Journal of the American Chemical Society, 134, 406-417 (2012).

Large-scale screening of hypothetical metal-organic frameworks

8. C.E. Wilmer, M. Leaf, C.Y. Lee, O.K. Farha, B.G. Hauser, J.T. Hupp and R. Q. Snurr, "Large-scale screening of hypothetical metal-organic frameworks," Nature Chemistry, 4, 83-89 (2012).

Review and analysis of molecular simulations of methane, hydrogen, and acetylene storage in metal-organic frameworks

7. R.B. Getman, Y.-S. Bae, C.E. Wilmer and R.Q. Snurr, "Review and analysis of molecular simulations of methane, hydrogen, and acetylene storage in metal-organic frameworks," Chemical Reviews, 112, 703-723 (2012).

Towards rapid computational screening of metal-organic frameworks for carbon dioxide capture: Calculation of framework charges via charge equilibration

6. C.E. Wilmer and R.Q. Snurr, "Towards rapid computational screening of metal-organic frameworks for carbon dioxide capture: Calculation of framework charges via charge equilibration," Chemical Engineering Journal, 171, 775-781 (2011).

Precision assembly of oppositely- and like-charged nanoobjects mediated by charge-induced dipole interactions

5. D.A. Walker, C.E. Wilmer, B. Kowalczyk, K.J.M. Bishop and B.A. Grzybowski, "Precision assembly of oppositely- and like-charged nanoobjects mediated by charge-induced dipole interactions," Nano Letters, 10, 2275-2280 (2010).

Nanoscale forces and their uses in self-assembly

4. K.J.M. Bishop, C.E. Wilmer, S. Soh & B.A. Grzybowski, "Nanoscale forces and their uses in self-assembly," Small, 5, 1600-1630 (2009).

Mechanical and electrical properties of nanostructured 'plastic metals'

3. B.A. Grzybowski, C.E. Wilmer and M. Fialkowski, "Mechanical and electrical properties of nanostructured 'plastic metals'," Journal of Non-Crystalline Solids, 355, 1313-1317 (2009).

The 'wired' universe of organic chemistry

2. B.A. Grzybowski, K.J.M. Bishop, B. Kowalczyk and C.E. Wilmer, "The 'wired' universe of organic chemistry," Nature Chemistry, 1, 31-36 (2009).

Self-assembly: From crystals to cells

1. B.A. Grzybowski, C.E. Wilmer, J. Kim, K. Browne and K.J.M. Bishop, "Self-assembly: From crystals to cells," Soft Matter, 5, 1110-1128 (2009).