Research

Computational Materials Science Laboratory,
Department of Chemistry, University of Ulsan

전산소재 분야 박사 및 석사연구원을 상시모집하고 있습니다.
CV를 jjung2015@ulsan.ac.kr로 보내주시기 바랍니다.

Computational studies on materials science are now one of the major research fields not only in fundamental study but also in advanced studies for developing new potential materials. Our research object is contributing to reveal the origins of experimental observation and then, based on the accumulated knowledge gained thereby, to suggest novel ways of thinking and of approaching other still veiled natural phenomena. 

A main keyword of our study, based mainly on density functional theory (DFT), would be converged to “interface” between two different systems such as organic and inorganic molecules, atomic clusters, layered materials (e.g., oxide films and graphene), and solid surfaces. The interfacial interaction is of fundamental importance in constructing diverse materials and tuning their properties, such as chemical reactivity, work-function change, and electric conductivity. Therefore, we are going to apply our fundamental insights into materials' interfaces to a wide range of advanced applications related to catalysts, energy storages, electronic devices, and so forth.

In addition, we are trying to extend a close collaboration network with experimental researchers in both academic and industrial societies. As clearly shown in our history, we strongly believe that synergetic communication between experiment and theory not only provides an effective way to understand a variety of properties appearing in potential materials but also plays a crucial role in improving and extending materials science.


Research highlights

Full publication list
>>> JUNG Lab members are underlined.
>>> (§) equally contributing authors.

J. Singh (§), D. H. Kim (§), E.-H. Kim, H. Kim*, R. Hadiputra, J. Jung*, and K.-W. Chi*, The first quantitative synthesis of a closed three-link chain (631) using coordination and noncovalent interactions-driven self-assembly. J. Am. Chem. Soc. 142(20), 9327-9336 (2020).

Y.-J. Cheong, K. Sung, S. Park, J. Jung*, and H.-Y. Jang*, Valorization of chemical wastes: Ir(biscarbene)-catalyzed transfer hydrogenation of inorganic carbonates using glycerol. ACS Sustainable Chem. Eng. 8(18), 6972-6978 (2020).

A. H. Valekar, M. Lee, J. W. Yoon, J. Kwak, D.-Y. Hong, K.-R. Oh, G.-Y. Cha, Y.-U. Kwon, J. Jung*, J.-S. Chang, and Y. K. Hwang*, Catalytic transfer hydrogenation of furfural to furfuryl alcohol under mild conditions over Zr-MOFs: exploring the role of metal node coordination and modification. ACS Catal. 10(6), 3720-3732 (2020).

H. Lim*, Y. Park, M. Lee, J.-G. Ahn, B. W. Li, D. Luo, J. Jung*, R. S. Ruoff*, and Y. Kim*, Centimeter-scle and highly crystalline two-dimensional alcohol: evidence for graphenol (C6OH). Nano Lett. 20(3), 2107-2112 (2020).

J. Park (§), J.-H. Kim (§)*, S. Bak, K. Tahara, J. Jung*, M. Kawai, Y. Tobe*, and Y. Kim*, On-surface evolution of meso-isomerism in two-dimensional supramolecular assemblies. Angew. Chem. Int. Ed. 58(28), 9611-9618 (2019).

D. H. Kim (§), N. Singh (§), J. Oh, E.-H. Kim, J. Jung*, H. Kim*, and K.-W. Chi*, Coordination-driven self-assembly of a molecular knot comprising sixteen crossings. Angew. Chem. Int. Ed. 57(20), 5669-5673 (2018).

E. Kazuma, J. Jung*, H. Ueba, M. Trenary, and Y. Kim*, Direct pathway to molecular photodissociation on metal surfaces using visible light. J. Am. Chem. Soc. 139(8), 3115-3121 (2017).

Y.-K. Han*, J. Yoo, and J. Jung*, Reductive decomposition mechanism of prop-1-ene-1,3-sultone in the formation of solid-electrolyte interphase on the anode of a lithium-ion battery. J. Phys. Chem. C 120(50), 28390-28397 (2016).

Y. H. Song (§), N. Singh (§), J. Jung*, H. Kim, E.-H. Kim, H.-K. Cheong, Y. Kim, and K.-W. Chi*, Template-free synthesis of a molecular Solomon link by two-component self-assembly. Angew. Chem. Int. Ed. 55(6), 2007-2011 (2016).

J.-H. Kim, J.-C. Ribierre, Y. S. Yang, C. Adachi, M. Kawai, J. Jung*, T. Fukushima*, and Y. Kim*, Seamless growth of a supramolecular carpet. Nat. Commun. 7, 10653 (2016).

T. K. Shimizu (§), J. Jung (§), H. Imada, and Y. Kim*, Supramolecular assembly through interactions between molecular dipoles and alkali metal ions. Angew. Chem. Int. Ed. 53(50), 13729-13733 (2014).

J. Jung, H. Lim, J. Oh, and Y. Kim*, Functionalization of graphene grown on metal substrate with atomic oxygen: enolate vs epoxide. J. Am. Chem. Soc. 136(24), 8528-8531 (2014).

J. Jung, S. Kang, and Y.-K. Han*, Ligand effects on the stability of thiol-stabilized gold nanoclusters: Au25(SR)18-, Au38(SR)24, and Au102(SR)44. Nanoscale 4(14), 4206-4210 (2012). [invited article]

J. Jung, H.-J. Shin, Y. Kim*, and M. Kawai*, Ligand field effect at oxide-metal interface on the chemical reactivity of ultrathin oxide film surface. J. Am. Chem. Soc. 134(25), 10554-10561 (2012).

T. K. Shimizu (§), J. Jung (§), T. Otani, Y.-K. Han, M. Kawai*, and Y. Kim*, Two-dimensional superstructure formation of fluorinated fullerene on Au(111): a scanning tunneling microscopy study. ACS Nano 6(3), 2679-2685 (2012).

J. Jung, H.-J. Shin, Y. Kim*, and M. Kawai*, Activation of ultrathin oxide film for chemical reaction by interface defect. J. Am. Chem. Soc. 133(16), 6142-6145 (2011).

J. Jung, H. Kim, and Y.-K. Han*, Can an electron-shell closing model explain the structure and stability of ligand-stabilized metal clusters? J. Am. Chem. Soc. 133(15), 6090-6095 (2011).

J. Jung, H.-J. Shin, Y. Kim*, and M. Kawai*, Controlling water dissociation on an ultrathin MgO film by tuning film thickness. Phys. Rev. B 82(8), 085413 (2010). [Selected for Vir. J. Nan. Sci. & Tech. 22(8) (2010).]

Collaborations (outside University of Ulsan)