The DOI matches its Crossref record; 34 of the 34 references it cites were found in a registry or an index.
Electronic Chemical Potentials of Porous Metal–Organic Frameworks
Open accessAbstract
The binding energy of an electron in a material is a fundamental characteristic, which determines a wealth of important chemical and physical properties. For metal-organic frameworks this quantity is hitherto unknown. We present a general approach for determining the vacuum level of porous metal-organic frameworks and apply it to obtain the first ionization energy for six prototype materials including zeolitic, covalent, and ionic frameworks. This approach for valence band alignment can explain observations relating to the electrochemical, optical, and electrical properties of porous frameworks.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
Kresse, G., & Furthmüller, J. (1996) · Physical Review B · doi:10.1103/physrevb.54.11169 · Cited by 123,652
Hybrid functionals based on a screened Coulomb potential
Heyd, J., Scuseria, G. E., & Ernzerhof, M. (2003) · The Journal of Chemical Physics · doi:10.1063/1.1564060 · Cited by 19,629
The Chemistry and Applications of Metal-Organic Frameworks
Furukawa, H., Cordova, K. E., O’Keeffe, M., & Yaghi, O. M. (2013) · Science · doi:10.1126/science.1230444 · Cited by 16,945
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
Perdew, J. P., Ruzsinszky, A., Csonka, G. I., Vydrov, O. A., Scuseria, G. E., Constantin, L. A., Zhou, X., & Burke, K. (2008) · Physical Review Letters · doi:10.1103/physrevlett.100.136406 · Cited by 11,970
Porous, Crystalline, Covalent Organic Frameworks
Côté, A. P., Benin, A. I., Ockwig, N. W., O'Keeffe, M., Matzger, A. J., & Yaghi, O. M. (2005) · Science · doi:10.1126/science.1120411 · Cited by 8,357
Exceptional chemical and thermal stability of zeolitic imidazolate frameworks
Park, K. S., Ni, Z., Côté, A. P., Choi, J. Y., Huang, R., Uribe-Romo, F. J., Chae, H. K., O’Keeffe, M., & Yaghi, O. M. (2006) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0602439103 · Cited by 7,563
Influence of the exchange screening parameter on the performance of screened hybrid functionals
Krukau, A. V., Vydrov, O. A., Izmaylov, A. F., & Scuseria, G. E. (2006) · The Journal of Chemical Physics · doi:10.1063/1.2404663 · Cited by 7,005
A Chemically Functionalizable Nanoporous Material [Cu 3 (TMA) 2 (H 2 O) 3 ] n
Chui, S. S.-Y., Lo, S. M.-F., Charmant, J. P. H., Orpen, A. G., & Williams, I. D. (1999) · Science · doi:10.1126/science.283.5405.1148 · Cited by 6,063
Ultrahigh Porosity in Metal-Organic Frameworks
Furukawa, H., Ko, N., Go, Y. B., Aratani, N., Choi, S. B., Choi, E., Yazaydin, A. Ö., Snurr, R. Q., O’Keeffe, M., Kim, J., et al. (2010) · Science · doi:10.1126/science.1192160 · Cited by 3,904
Band alignment of rutile and anatase TiO2
Scanlon, D. O., Dunnill, C. W., Buckeridge, J., Shevlin, S. A., Logsdail, A. J., Woodley, S. M., Catlow, C. R. A., Powell, M. J., Palgrave, R. G., Parkin, I. P., et al. (2013) · Nature Materials · doi:10.1038/nmat3697 · Cited by 2,319
Self-citationLarge-Pore Apertures in a Series of Metal-Organic Frameworks
Deng, H., Grunder, S., Cordova, K. E., Valente, C., Furukawa, H., Hmadeh, M., Gándara, F., Whalley, A. C., Liu, Z., Asahina, S., et al. (2012) · Science · doi:10.1126/science.1220131 · Cited by 2,126
A New Photoactive Crystalline Highly Porous Titanium(IV) Dicarboxylate
Dan-Hardi, M., Serre, C., Frot, T., Rozes, L., Maurin, G., Sanchez, C., & Férey, G. (2009) · Journal of the American Chemical Society · doi:10.1021/ja903726m · Cited by 1,440
Large-scale screening of hypothetical metal–organic frameworks
Wilmer, C. E., Leaf, M., Lee, C. Y., Farha, O. K., Hauser, B. G., Hupp, J. T., & Snurr, R. Q. (2012) · Nature Chemistry · doi:10.1038/nchem.1192 · Cited by 1,439
Universal alignment of hydrogen levels in semiconductors, insulators and solutions
Van de Walle, C. G., & Neugebauer, J. (2003) · Nature · doi:10.1038/nature01665 · Cited by 1,250
Tunable Electrical Conductivity in Metal-Organic Framework Thin-Film Devices
Talin, A. A., Centrone, A., Ford, A. C., Foster, M. E., Stavila, V., Haney, P., Kinney, R. A., Szalai, V., El Gabaly, F., Yoon, H. P., et al. (2014) · Science · doi:10.1126/science.1246738 · Cited by 1,233
Room temperature synthesis of metal-organic frameworks: MOF-5, MOF-74, MOF-177, MOF-199, and IRMOF-0
Tranchemontagne, D. J., Hunt, J. R., & Yaghi, O. M. (2008) · Tetrahedron · doi:10.1016/j.tet.2008.06.036 · Cited by 1,091
Methane Storage in Metal–Organic Frameworks: Current Records, Surprise Findings, and Challenges
Peng, Y., Krungleviciute, V., Eryazici, I., Hupp, J. T., Farha, O. K., & Yildirim, T. (2013) · Journal of the American Chemical Society · doi:10.1021/ja4045289 · Cited by 1,018
Semiconductor Behavior of a Metal‐Organic Framework (MOF)
Alvaro, M., Carbonell, E., Ferrer, B., Llabrés i Xamena, F. X., & Garcia, H. (2007) · Chemistry – A European Journal · doi:10.1002/chem.200601003 · Cited by 949
Hendon, C. H., Tiana, D., Fontecave, M., Sanchez, C., D’arras, L., Sassoye, C., Rozes, L., Mellot-Draznieks, C., & Walsh, A. (2013) · Journal of the American Chemical Society · doi:10.1021/ja405350u · Cited by 875
Self-citationZhan, W.-W., Kuang, Q., Zhou, J.-Z., Kong, X.-J., Xie, Z.-X., & Zheng, L.-S. (2013) · Journal of the American Chemical Society · doi:10.1021/ja311085e · Cited by 803
Horiuchi, Y., Toyao, T., Saito, M., Mochizuki, K., Iwata, M., Higashimura, H., Anpo, M., & Matsuoka, M. (2012) · The Journal of Physical Chemistry C · doi:10.1021/jp3046005 · Cited by 650
Nearsightedness of electronic matter
Prodan, E., & Kohn, W. (2005) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0505436102 · Cited by 551
Commercial metal–organic frameworks as heterogeneous catalysts
Dhakshinamoorthy, A., Alvaro, M., & Garcia, H. (2012) · Chemical Communications · doi:10.1039/c2cc34329k · Cited by 422
Ti3+-, V2+/3+-, Cr2+/3+-, Mn2+-, and Fe2+-Substituted MOF-5 and Redox Reactivity in Cr- and Fe-MOF-5
Brozek, C. K., & Dincă, M. (2013) · Journal of the American Chemical Society · doi:10.1021/ja4064475 · Cited by 421
Applications for Metal−Organic Frameworks (MOFs) as Quantum Dot Semiconductors
Llabrés i Xamena, F. X., Corma, A., & Garcia, H. (2007) · The Journal of Physical Chemistry C · doi:10.1021/jp063600e · Cited by 402
Cheetham, A. K., & Rao, C. N. R. (2007) · Science · doi:10.1126/science.1147231 · Cited by 362
Nijem, N., Wu, H., Canepa, P., Marti, A., Balkus, K. J., Thonhauser, T., Li, J., & Chabal, Y. J. (2012) · Journal of the American Chemical Society · doi:10.1021/ja305754f · Cited by 308
Conductive metal–organic frameworks and networks: fact or fantasy?
Hendon, C. H., Tiana, D., & Walsh, A. (2012) · Physical Chemistry Chemical Physics · doi:10.1039/c2cp41099k · Cited by 290
Self-citationZhang, S. B., Wei, S.-H., & Zunger, A. (2000) · Physical Review Letters · doi:10.1103/physrevlett.84.1232 · Cited by 227
Loera-Serna, S., Oliver-Tolentino, M. A., de Lourdes López-Núñez, M., Santana-Cruz, A., Guzmán-Vargas, A., Cabrera-Sierra, R., Beltrán, H. I., & Flores, J. (2012) · Journal of Alloys and Compounds · doi:10.1016/j.jallcom.2012.06.030 · Cited by 209
Dietzel, P. D. C., Georgiev, P. A., Eckert, J., Blom, R., Strässle, T., & Unruh, T. (2010) · Chemical Communications · doi:10.1039/c0cc00091d · Cited by 194
On the reticular construction concept of covalent organic frameworks
Lukose, B., Kuc, A., Frenzel, J., & Heine, T. (2010) · Beilstein Journal of Nanotechnology · doi:10.3762/bjnano.1.8 · Cited by 167
Cu-Based Metal–Organic Frameworks for Photovoltaic Application
Lee, D. Y., Shinde, D. V., Yoon, S. J., Cho, K. N., Lee, W., Shrestha, N. K., & Han, S. (2013) · The Journal of Physical Chemistry C · doi:10.1021/jp4079663 · Cited by 155
Helical frontier orbitals of conjugated linear molecules
Hendon, C. H., Tiana, D., Murray, A. T., et al. (2013) · Chemical Science · doi:10.1039/c3sc52061g · Cited by 89
Self-citation
Cited by
Sulfone-containing covalent organic frameworks for photocatalytic hydrogen evolution from water
Wang, X., Chen, L., Chong, S. Y., Little, M. A., Wu, Y., Zhu, W.-H., Clowes, R., Yan, Y., Zwijnenburg, M. A., Sprick, R. S., et al. (2018) · Nature Chemistry · doi:10.1038/s41557-018-0141-5 · Cited by 1,320
Interplay of Orbital and Relativistic Effects in Bismuth Oxyhalides: BiOF, BiOCl, BiOBr, and BiOI
Ganose, A. M., Cuff, M., Butler, K. T., Walsh, A., & Scanlon, D. O. (2016) · Chemistry of Materials · doi:10.1021/acs.chemmater.6b00349 · Cited by 426
Self-citationYan, Y., Li, C., Wu, Y., Gao, J., & Zhang, Q. (2020) · Journal of Materials Chemistry A · doi:10.1039/d0ta03749d · Cited by 260
Structural diversity of alkaline-earth 2,5-thiophenedicarboxylates
Balendra, & Ramanan, A. (2017) · Journal of Molecular Structure · doi:10.1016/j.molstruc.2016.11.029 · Cited by 16
Metadata
- Authors
- Butler, K. T., Hendon, C. H., & Walsh, A.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2014-02-06
- Volume
- 136
- Issue
- 7
- Pages
- 2703-2706
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2154769994
- Cited by
- 293
- References
- 34
- FWCI
- 13.26
- Type
- journal article
- Language
- en
- Open access
- hybrid
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
