Semiconductor Behavior of a Three-Dimensional Strontium-Based Metal-Organic Framework

ACS Applied Materials and Interfaces

Volumn 7, Issue 41, 2015, Pages 22767-22774

  Usman, Muhammad ^a,b,c   Mendiratta, Shruti ^a   Batjargal, Sainbileg ^b,c,d   Haider, Golam ^c,d,e   Hayashi, Michitoshi ^d   Rao Gade, Narsinga ^d   Chen, Jenq Wei ^d   Chen, Yang Fang ^d   Lu, Kuang Lieh ^a  

^a INSTITUTE OF CHEMISTRY   (Taiwan)

^b NATIONAL CENTRAL UNIVERSITY   (Taiwan)

^c ACADEMIA SINICA   (Taiwan)

^d NATIONAL TAIWAN UNIVERSITY   (Taiwan)

^e NATIONAL TSING HUA UNIVERSITY   (Taiwan)

Author keywords

bandgap; density functional theory; metal organic framework; semiconductor; strontium

Indexed keywords

CRYSTALLINE MATERIALS; ELECTRONIC PROPERTIES; ENERGY GAP; METALS; OPTOELECTRONIC DEVICES; ORGANOMETALLICS; PHOTOLUMINESCENCE; SELF ASSEMBLY; SEMICONDUCTOR MATERIALS; STRONTIUM; ZINC COMPOUNDS;

1 ,2 ,4-BENZENETRICARBOXYLIC ACID; DIFFUSE REFLECTION SPECTRA; HYDROTHERMAL CONDITIONS; METAL ORGANIC FRAMEWORK; PHOTOLUMINESCENCE SPECTRUM; SEMI-CONDUCTING PROPERTY; SEMICONDUCTING MATERIALS; THEORETICAL CALCULATIONS;

DENSITY FUNCTIONAL THEORY;

EID: 84945399609     PISSN: 19448244     EISSN: 19448252     Source Type: Journal    
DOI: 10.1021/acsami.5b07228     Document Type: Article

References (60)

1. 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.; Leonard, F.; Allendorf, M. D. Tunable Electrical Conductivity in Metal-Organic Framework Thin-Film Devices Science 2014, 343, 66-69 10.1126/science.1246738
2. Ramaswamy, P.; Wong, N. E.; Shimizu, G. K. MOFs as Proton Conductors - Challenges and Opportunities Chem. Soc. Rev. 2014, 43, 5913-5932 10.1039/C4CS00093E
3. 2, a Semiconducting Metal-Organic Graphene Analogue J. Am. Chem. Soc. 2014, 136, 8859-8862 10.1021/ja502765n
4. Shen, L.; Yang, S. W.; Xiang, S.; Liu, T.; Zhao, B.; Ng, M. F.; Goettlicher, J.; Yi, J.; Li, S.; Wang, L.; Ding, J.; Chen, B.; Wei, S. H.; Feng, Y. P. Origin of Long-Range Ferromagnetic Ordering in Metal-Organic Frameworks with Antiferromagnetic Dimeric-Cu(II) Building Units J. Am. Chem. Soc. 2012, 134, 17286-17290 10.1021/ja3077654
5. Cui, Y.; Yue, Y.; Qian, G.; Chen, B. Luminescent Functional Metal-Organic Frameworks Chem. Rev. 2012, 112, 1126-1162 10.1021/cr200101d
6. Pan, C.; Nan, J.; Dong, X.; Ren, X. M.; Jin, W. A Highly Thermally Stable Ferroelectric Metal-Organic Framework and its Thin Film with Substrate Surface Nature Dependent Morphology J. Am. Chem. Soc. 2011, 133, 12330-12333 10.1021/ja2031568
7. Milios, C. J.; Vinslava, A.; Wernsdorfer, W.; Moggach, S.; Parsons, S.; Perlepes, S. P.; Christou, G.; Brechin, E. K. A Record Anisotropy Barrier for a Single-Molecule Magnet J. Am. Chem. Soc. 2007, 129, 2754-2755 10.1021/ja068961m
8. Zhou, H. C.; Long, J. R.; Yaghi, O. M. Introduction to Metal-Organic Frameworks Chem. Rev. 2012, 112, 673-674 10.1021/cr300014x
9. Furukawa, H.; Cordova, K. E.; O'Keeffe, M.; Yaghi, O. M. The Chemistry and Applications of Metal-Organic Frameworks Science 2013, 341, 1230444 10.1126/science.1230444
10. 2 Separation Nature 2013, 495, 80-84 10.1038/nature11893
11. 2 Selectivity in a Dynamic Bifunctional Metal-Organic Framework Chem. Sci. 2012, 3, 2993-2999 10.1039/c2sc20443f
12. Kreno, L. E.; Leong, K.; Farha, O. K.; Allendorf, M.; Van Duyne, R. P.; Hupp, J. T. Metal-Organic Framework Materials as Chemical Sensors Chem. Rev. 2012, 112, 1105-1125 10.1021/cr200324t
13. Sakata, Y.; Furukawa, S.; Kondo, M.; Hirai, K.; Horike, N.; Takashima, Y.; Uehara, H.; Louvain, N.; Meilikhov, M.; Tsuruoka, T.; Isoda, S.; Kosaka, W.; Sakata, O.; Kitagawa, S. Shape-Memory Nanopores Induced in Coordination Frameworks by Crystal Downsizing Science 2013, 339, 193-196 10.1126/science.1231451
14. 2 Breathing in the Metal-Organic Framework Co(1,4-benzenedipyrazolate) J. Am. Chem. Soc. 2010, 132, 13782-13788 10.1021/ja104357r
15. Zhang, J. P.; Zhang, Y. B.; Lin, J. B.; Chen, X. M. Metal Azolate Frameworks: From Crystal Engineering to Functional Materials Chem. Rev. 2012, 112, 1001-1033 10.1021/cr200139g
16. Tian, D.; Chen, Q.; Li, Y.; Zhang, Y. H.; Chang, Z.; Bu, X.-H. A Mixed Molecular Building Block Strategy for the Design of Nested Polyhedron Metal-Organic Frameworks Angew. Chem., Int. Ed. 2014, 53, 837-841 10.1002/anie.201307681
17. Luo, T. T.; Wu, H. C.; Jao, Y. C.; Huang, S. M.; Tseng, T. W.; Wen, Y. S.; Lee, G. H.; Peng, S. M.; Lu, K. L. Self-Assembled Arrays of Single-Walled Metal-Organic Nanotubes Angew. Chem., Int. Ed. 2009, 48, 9461-9464 10.1002/anie.200904501
18. Gassensmith, J. J.; Kim, J. Y.; Holcroft, J. M.; Farha, O. K.; Stoddart, J. F.; Hupp, J. T.; Jeong, N. C. A Metal-Organic Framework-Based Material for Electrochemical Sensing of Carbon Dioxide J. Am. Chem. Soc. 2014, 136, 8277-8282 10.1021/ja5006465
19. Sun, C. Y.; Qin, C.; Wang, C. G.; Su, Z. M.; Wang, S.; Wang, X. L.; Yang, G. S.; Shao, K. Z.; Lan, Y. Q.; Wang, E. B. Chiral Nanoporous Metal-Organic Frameworks with High Porosity as Materials for Drug Delivery Adv. Mater. 2011, 23, 5629-5632 10.1002/adma.201102538
20. Horcajada, P.; Gref, R.; Baati, T.; Allan, P. K.; Maurin, G.; Couvreur, P.; Ferey, G.; Morris, R. E.; Serre, C. Metal-Organic Frameworks in Biomedicine Chem. Rev. 2012, 112, 1232-1268 10.1021/cr200256v
21. Van de Voorde, B.; Bueken, B.; Denayer, J.; De Vos, D. Adsorptive Separation on Metal-Organic Frameworks in the Liquid Phase Chem. Soc. Rev. 2014, 43, 5766-5788 10.1039/C4CS00006D
22. Wang, C.; Xie, Z.; DeKrafft, K. E.; Lin, W. Doping Metal-Organic Frameworks for Water Oxidation, Carbon Dioxide Reduction, and Organic Photocatalysis J. Am. Chem. Soc. 2011, 133, 13445-13454 10.1021/ja203564w
23. Allendorf, M. D.; Schwartzberg, A.; Stavila, V.; Talin, A. A. A Roadmap to Implementing Metal-Organic Frameworks in Electronic Devices: Challenges and Critical Directions Chem.-Eur. J. 2011, 17, 11372-11388 10.1002/chem.201101595
24. Alvaro, M.; Carbonell, E.; Ferrer, B.; Llabres i Xamena, F. X.; Garcia, H. Semiconductor Behavior of a Metal-Organic Framework (MOF) Chem.-Eur. J. 2007, 13, 5106-5112 10.1002/chem.200601003
25. Silva, C. G.; Corma, A.; García, H. Metal-Organic Frameworks as Semiconductors J. Mater. Chem. 2010, 20, 3141-3156 10.1039/b924937k
26. Karthikeyan, M.; Bhagyaraju, B.; Mariappan, C. R.; Mobin, S. M.; Manimaran, B. Novel Semiconducting Metal-Organic Framework: Synthesis, Structural Characterisation and Electrical Conductivity Studies of Manganese Based Two Dimensional Coordination Polymer Inorg. Chem. Commun. 2012, 20, 269-272 10.1016/j.inoche.2012.03.024
27. Sippel, P.; Denysenko, D.; Loidl, A.; Lunkenheimer, P.; Sastre, G.; Volkmer, D. Dielectric Relaxation Processes, Electronic Structure, and Band Gap Engineering of MFU-4-type Metal-Organic Frameworks: Towards a Rational Design of Semiconducting Microporous Materials Adv. Funct. Mater. 2014, 24, 3885-3896 10.1002/adfm.201400083
28. Gao, J.; Miao, J.; Li, P. Z.; Teng, W. T.; Yang, L.; Zhao, Y.; Liu, B.; Zhang, Q. A p-type Ti(IV)-Based Metal-Organic Framework with Visible-Light Photo-Response Chem. Commun. 2014, 50, 3786-3788 10.1039/c3cc49440c
29. Park, S. S.; Hontz, E. R.; Sun, L.; Hendon, C. H.; Walsh, A.; Van Voorhis, T.; Dinca, M. Cation-Dependent Intrinsic Electrical Conductivity in Isostructural Tetrathiafulvalene-Based Microporous Metal-Organic Frameworks J. Am. Chem. Soc. 2015, 137, 1774-1777 10.1021/ja512437u
30. Stavila, V.; Talin, A. A.; Allendorf, M. D. MOF-Based Electronic and Opto-Electronic Devices Chem. Soc. Rev. 2014, 43, 5994-6010 10.1039/C4CS00096J
31. Kobayashi, Y.; Jacobs, B.; Allendorf, M. D.; Long, J. R. Conductivity, Doping, and Redox Chemistry of a Microporous Dithiolene-Based Metal-Organic Framework Chem. Mater. 2010, 22, 4120-4122 10.1021/cm101238m
32. Ekuma, C. E.; Jarrell, M.; Moreno, J.; Bagayoko, D. First Principle Electronic, Structural, Elastic, and Optical Properties of Strontium Titanate AIP Adv. 2012, 2, 012189 10.1063/1.3700433
33. Liao, X. X.; Wang, H. Q.; Zheng, J. C. Tuning the Structural, Electronic, and Magnetic Properties of Strontium Titanate Through Atomic Design: A Comparison Between Oxygen Vacancies and Nitrogen Doping J. Am. Ceram. Soc. 2013, 96, 538-543 10.1111/jace.12072
34. Cole, M. W.; Ngo, E.; Hubbard, C.; Hirsch, S. G.; Ivill, M.; Sarney, W. L.; Zhang, J.; Alpay, S. P. Enhanced Dielectric Properties from Barium Strontium Titanate Films with Strontium Titanate Buffer Layers J. Appl. Phys. 2013, 114, 164107 10.1063/1.4827421
35. Smith, A. M.; Nie, S. Semiconductor Nanocrystals: Structure, Properties, and Band Gap Engineering Acc. Chem. Res. 2010, 43, 190-200 10.1021/ar9001069
36. Lincheneau, C.; Amelia, M.; Oszajca, M.; Boccia, A.; D'Orazi, F.; Madrigale, M.; Zanoni, R.; Mazzaro, R.; Ortolani, L.; Morandi, V.; Silvi, S.; Szaciłowski, K.; Credi, A. Synthesis and Properties of Znte And Znte/Zns Core/Shell Semiconductor Nanocrystals J. Mater. Chem. C 2014, 2, 2877-2886 10.1039/c3tc32385d
37. Assali, S.; Zardo, I.; Plissard, S.; Kriegner, D.; Verheijen, M. A.; Bauer, G.; Meijerink, A.; Belabbes, A.; Bechstedt, F.; Haverkort, J. E. M.; Bakkers, E. P. A. M. Direct Band Gap Wurtzite Gallium Phosphide Nanowires Nano Lett. 2013, 13, 1559-1563 10.1021/nl304723c
38. Kresse, G.; Hafner, J. Ab Initio Molecular Dynamics for Liquid Metals Phys. Rev. B: Condens. Matter Mater. Phys. 1993, 47, 558-561 10.1103/PhysRevB.47.558
39. Kresse, G.; Hafner, J. Ab initio Molecular-Dynamics Simulation of the Liquid-Metal-Amorphous-Semiconductor Transition in Germanium Phys. Rev. B: Condens. Matter Mater. Phys. 1994, 49, 14251-14269 10.1103/PhysRevB.49.14251
40. Kresse, G.; Furthmüller, J. Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set Comput. Mater. Sci. 1996, 6, 15-50 10.1016/0927-0256(96)00008-0
41. Kresse, G.; Furthmüller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B: Condens. Matter Mater. Phys. 1996, 54, 11169-11186 10.1103/PhysRevB.54.11169
42. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868 10.1103/PhysRevLett.77.3865
43. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1997, 78, 1396-1396 10.1103/PhysRevLett.78.1396
44. Blochl, P. E. Projector Augmented-Wave Method Phys. Rev. B: Condens. Matter Mater. Phys. 1994, 50, 17953-17979 10.1103/PhysRevB.50.17953
45. Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method Phys. Rev. B: Condens. Matter Mater. Phys. 1999, 59, 1758-1775 10.1103/PhysRevB.59.1758
46. Monkhorst, H. J.; Pack, J. D. Special Points for Brillouin-Zone Integrations Phys. Rev. B 1976, 13, 5188-5192 10.1103/PhysRevB.13.5188
47. Schroder, D. K. Semiconductor Material and Device Characterization, 3 rd Edition; John Wiley and Sons, Inc.: Hoboken, NJ, 2006.
48. Durand, B.; Taillades, G.; Pradel, A.; Ribes, M.; Badot, J. C.; Belhadj-Tahar, N. Frequency Dependence of Conductivity in Superionic Conducting Chalcogenide Glasses J. Non-Cryst. Solids 1994, 172-174, 1306-1314 10.1016/0022-3093(94)90657-2
49. Dutta, P.; Biswas, S.; Ghosh, M.; De, S. K.; Chatterjee, S. The DC and AC Conductivity of Polyaniline-Polyvinyl Alcohol Blends Synth. Met. 2001, 122, 455-461 10.1016/S0379-6779(00)00588-9
50. 3 Films Vacuum 2001, 61, 9-17 10.1016/S0042-207X(00)00416-4
51. Planchais, A.; Devautour-Vinot, S.; Salles, F.; Ragon, F.; Devic, T.; Serre, C.; Maurin, G. A Joint Experimental/Computational Exploration of the Dynamics of Confined Water/Zr-Based MOFs Systems J. Phys. Chem. C 2014, 118, 14441-14448 10.1021/jp5039267
52. Usman, M.; Lee, C. H.; Hung, D. S.; Lee, S. F.; Wang, C. C.; Luo, T. T.; Zhao, L.; Wu, M. K.; Lu, K. L. Intrinsic Low Dielectric Behaviour of a Highly Thermally Stable Sr-Based Metal-Organic Framework for Interlayer Dielectric Materials J. Mater. Chem. C 2014, 2, 3762-3768 10.1039/c4tc00149d
53. Jonscher, A. K. The 'Universal' Dielectric Response Nature 1977, 267, 673-679 10.1038/267673a0
54. Zhou, B.; Kobayashi, A.; Cui, H.-B.; Long, L.-S.; Fujimori, H.; Kobayashi, H. Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals J. Am. Chem. Soc. 2011, 133, 5736-5739 10.1021/ja200978u
55. Zhao, H. X.; Liu, J. X.; Long, L. S.; Bokov, A. A.; Ye, Z. G.; Huang, R. B.; Zheng, L. S. High Dielectric Constant and Relaxation Mechanism of Water with Hydrated Copper(II) Ions in a Cucurbit[8]uril-Based Supramolecular Architecture J. Phys. Chem. C 2012, 116, 14199-14204 10.1021/jp3018293
56. Liao, W. Q.; Zhang, Y.; Hu, C. L.; Mao, J. G.; Ye, H. Y.; Li, P. F.; Huan, S. D.; Xiong, R. G. A Lead-Halide Perovskite Molecular Ferroelectric Semiconductor Nat. Commun. 2015, 6, 8338-8344 10.1038/ncomms8338
57. Tauc, J.; Grigorovici, R.; Vancu, A. Optical Properties and Electronic Structure of Amorphous Germanium Phys. Status Solidi B 1966, 15, 627-637 10.1002/pssb.19660150224
58. Wang, X. W.; Chen, J. Z.; Liu, J. H. Photoluminescent Zn(II) Metal-Organic Frameworks Built from Tetrazole Ligand: 2D Four-Connected Regular Honeycomb (4363)-net Cryst. Growth Des. 2007, 7, 1227-1229 10.1021/cg070330w
59. Butler, K. T.; Hendon, C. H.; Walsh, A. Electronic Chemical Potentials of Porous Metal-Organic Frameworks J. Am. Chem. Soc. 2014, 136, 2703-2706 10.1021/ja4110073
60. Zagorodniy, K.; Seifert, G.; Hermann, H. Metal-Organic Frameworks as Promising Candidates for Future Ultralow-κ Dielectrics Appl. Phys. Lett. 2010, 97, 251905 10.1063/1.3529461