Faculty
Dr. Bor Kae Chang, Associate Professor
Office Phone: +886-3-4227151#34235
E-mail: BKChang@ncu.edu.tw
Office: E3-301
Lab: P...
detail
 Research Background

Porous materials play an important role in chemical industry processes, including gas adsorption, separation, and storage. The introduction of novel materials such as the family of metal-organic frameworks (MOFs) and zeolitic imidazolate frameworks (ZIFs) have ushered in an era where a large number of organic and inorganic moieties can be chosen to form a robust, crystalline and porous material. This abundance of selection, although excellent for customization, also means that there is difficulty in systematically exploring the structures and arriving at the ideal one for a certain application. By using density functional theory to explore guest-host interactions within the structures, and inputting results in experimental synthesis of MOFs and ZIFs, an accelerated route to implementing these materials in industrial processes can begin to be established.

 

Current activities in the lab and future plans include:

 

  • MOF and ZIF synthesis and classification
  • Thinfilm, column, embedded matrix production and gas adsorption testing
  • Material and gas interaction synthesis using density-functional theory (DFT)

 

   

 

Perfluorinated flexible MOF with highlighted principle non-bonded interactions

 

 

 

Iodine (I2) ideal adsorption site and orientation in a newly synthesized ZIF as determined by DFT calculations


 Publications
  1. Huang, G., Ghalei, B., Isfahani, A.P., Karahan, H.E., Terada, D., Qin, D., Li, C., Tsujimoto, M., Yamaguchi, D., Sugimoto, K., Igarashi, R., Chang, B.K., Li, T., Shirakawa, M., Sivaniah, E., "Overcoming humidity-induced swelling of graphene oxide-based hydrogen membranes using charge-compensating nanodiamonds", Nature Energy, 2021, 6, 1176-1187.
  2. Wu, K.-C., Chieh, C.-M.,* Chang, B.K.,* "First principles calculations on lithium diffusion near surface and in bluk of Fe-doped LiCoPO4", Physical Chemistry Chemical Physics, 2021, DOI: 10.1039/D1CP04517B.
  3. Kao, S.-N., Hung, Y.-C., Shimoyama, Y., Hsieh, C.-M.,* Chang, B.K.,* "Investigating lithium intercalation and diffusion in Nb-doped TiO2 by first principles calculations", Journal of the Taiwan Institute of Chemical Engineers, 2021, 125, 314-322.
  4. Patra, J., Wu, S.-C., Leu, I.-C., Yang, C.-C., Dhaka, R.S., Okada, S., Yeh, H.-L., Hsieh, C.-M., Chang, B.K.,* Chang, J.-K.,* "Hydrogenated Anatase and Rutile TiO2 for Sodium-Ion Battery Anodes", ACS Applied Energy Materials, 2021, 4, 6, 5738-5746.
  5. Chan, S.-C., Cheng, Y.-L., Chang, B.K.,* Hong, C.-W.,* "The origins of charge separation in anisotropic facet photocatalysts investigated through first-principles calculations", RSC Advances, 2021, 11, 18500-18508.
  6. Ou, J.-H., Sheu, Y.-T., Chang, B.K., Verpoort, F., R.Y. Surampalli, Kao, C.-M., "Application of zeolitic imidazolate framework for hexavalent chromium removal: A feasibility and mechanism study", Water Environment Research, 2021: doi.org/10.1002/wer.1571.
  7. Wu, X.-M., Chang, B.K.,* Hsieh, C.-M.,* "Computational study on the effect of steric hindrance in functionalised Zr-based metal-organic frameworks on hydrocarbon storage and separation", Molecular Simulation, 2021, 47, 7, 565-574.
  8. Yuan, S.H., Isfahani, A.P., Yamamoto, T., Muchtar, A., Wu, C.Y., Huang, G., You, Y.C., Sivaniah, E., Chang, B.K., Ghalei, B., "Nanosized Core–Shell Zeolitic Imidazolate Frameworks‐Based Membranes for Gas Separation", Small Methods, 2020, 4, 8, 200021.
  9. Chao, C.-H., Ni, W.-C., Chen, C.-T., Chang, B.K., Huang, C.-H., Su, C.-Y., Liu, W.-R., "Synthesis, luminescence properties and theoretical calculations of La5BSi2O13:Dy3+ phosphor coatings for light-emitting diodes", Thin Solid Films, 2020, 698, 137865.
  10. Muruganantham, R., Lu, J.-S., Maggay, I.V.B., Chang, B.K., Wang, P.K., Liu, W.-R., "Modification of spinel-based CoV2O4 materials through Mn substitution as a potential anode material for Li-ion storage", Surf. Coat. Technol., 2020, 389, 125602.
  11. Gesesse, G.D., Wang, C., Chang, B.K., Tai, S.-H., Beaunier, P., Wojcieszak, R., Remita, H., Colbeau-Justin, C., Ghazzal, M.N., "A soft-chemistry assisted strong metal-support interaction on a designed plasmonic core-shell photocatalyst for enhanced photocatalytic hydrogen production", Nanoscale, 2020, 12, 7011-7023.
  12. Ghalei, B., Wakimoto, K., Wu, C.Y., Isfahani, A.P., Yamamoto, T., Sakurai, K., Higuchi, M., Chang, B.K., Kitagawa, S., Sivaniah, E., "Rational Tuning of Zirconium Metal-Organic Framework Membranes for Hydrogen Purification", Angew. Chemie Int. Ed., 2019, 58, 52, 19034-19040.
  13. Tai, S.-Y., Muruganantham, R., Tai, S.-H., Chang, B.K., Wu, S.-C., Chueh, Y.-L., Liu, W.-R., “Coffee grounds-derived carbon as high performance anode materials for energy storage applications”, J. Taiwan Inst. Chem. Eng., 2019, 97, 178-188.
  14. Tran, B.-L., Chin, H.-Y., Chang, B.K.,* Chiang, A.S.T.,* “Dye Adsorption in ZIF-8: The Importance of External Surface Area”, Microporous Mesoporous Mater., 2019, 277, 149-153.
  15. Tai, S.-H., Chang, B.K.,* “Effect of nitrogen-doping configuration in graphene on the oxygen reduction reaction”, RSC Adv., 2019, 9, 6035-6041.
  16. Liao, C.-W., Tseng, P.-S., Chang, B.K., Wang, C.-Y., “Facilitated Hydrogen Release Kinetics from Amine Borane Functionalization on Gate-Opening Metal-Organic Framework”, Surf. Coat. Technol., 2018, 350, 12-19.
  17. Chang, Y.-W., Chang, B.K.,* “Influence of casting solvents on sedimentation and performance in metal–organic framework mixed-matrix membranes”, J. Taiwan Inst. Chem. Eng., 2018, 89, 224-233.
  18. Yeh, H.-L., Tai, S.-H., Hsieh, C.-M.,* Chang, B.K.,* “First-Principles Study of Lithium Intercalation and Diffusion in Oxygen-Defective Titanium Dioxide”, J. Phys. Chem. C, 2018, 122(34), 19447-19454.
  19. Maggay, I.V.B., De Juan, L.M.Z., Nguyen, M.T., Yonezawa, T., Chang, B.K., Chan, T.S., Liu, W.-R., “ZnV2O4: A Potential Anode Material for Sodium-Ion Batteries”, J. Taiwan Inst. Chem. Eng., 2018, 88, 161-168.
  20. Chung, J.-Y., Liao, C.-W., Chang, Y.-W., Chang, B.K., Wang, H., Li, J., Wang, C.-Y., “Influence of Metal-Organic Framework Porosity on Hydrogen Generation from Nanoconfined Ammonia Borane”, J. Phys. Chem. C, 2017, 121(49), 27369-27378.
  21. Hao, S.-W., Hsu, C.-H., Liu, Y.-G., Chang, B.K.,* “Activated Carbon Derived from Hydrothermal Treatment of Sucrose and Its Air Filtration Application”, RSC Adv., 2016, 6, 109950-109959.
  22. Chang, H.-L., Chen, C.-M., Lin, K.-L., Chang, B.K., “Study on the Effects of Diluent on Silica/Epoxy Resin Composite Material Phase Change”, Appl. Mech. Mater., 2014, 459, 34-39.
  23. Chang, H.-L., Chen, C.-M., Lin, K.-L., Chang, B.K., “The Effects of Chemical Resistance for Nanocomposite Materials via Nano-Silica Addition into Glass Fiber/Epoxy”, Adv. Mat. Res., 2014, 853, 28-33.
  24. Chang, B.K.,* Bristowe, P.D. & Cheetham, A.K., “Computational Studies on the Adsorption of CO2 in the Flexible Perfluorinated Metal-Organic Framework Zinc 1,2-bis(4-pyridyl)ethane tetrafluoroterephthalate”, Phys. Chem. Chem. Phys., 2013, 15, 176-182.
  25. Chang, B.K.,* Bristowe, N.C., Bristowe, P.D. & Cheetham, A.K., “Van der Waals Forces in the Perfluorinated Metal-Organic Framework Zinc 1,2-bis(4-pyridyl)ethane Tetrafluoroterephthalate”, Phys. Chem. Chem. Phys., 2012, 14, 7059-7064.
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